GYA

2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide

Created: 2017-06-28
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count1
Bond Count73
Aromatic Bond Count12
2D diagram of GYA
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Chemical Component Summary

Name2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide
SynonymsSRI-30026
Systematic Name (OpenEye OEToolkits)2-[(2~{S})-1-[2-(2-chlorophenyl)sulfanylethanoyl]pyrrolidin-2-yl]-~{N}-(5,6-dimethoxy-2,3-dihydro-1~{H}-inden-2-yl)-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxamide
FormulaC28 H29 Cl N4 O6 S
Molecular Weight585.071
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C3(=O)C(O)=C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O
SMILESCACTVS3.385COc1cc2CC(Cc2cc1OC)NC(=O)C3=C(O)C(=O)NC(=N3)[CH]4CCCN4C(=O)CSc5ccccc5Cl
SMILESOpenEye OEToolkits2.0.6COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)CSc5ccccc5Cl)O
Canonical SMILESCACTVS3.385 COc1cc2CC(Cc2cc1OC)NC(=O)C3=C(O)C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl
Canonical SMILESOpenEye OEToolkits2.0.6 COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O
InChIInChI1.03 InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1
InChIKeyInChI1.03 DUURZOUMZXZFQN-IBGZPJMESA-N

Related Resource References

Resource NameReference
PubChem 135567353, 131953460