GY8

2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide

Created: 2017-06-22
Last modified:  2020-06-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count1
Bond Count60
Aromatic Bond Count12
2D diagram of GY8
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide
SynonymsSRI-29928
Systematic Name (OpenEye OEToolkits)2-[(2~{S})-1-[3,5-bis(chloranyl)pyridin-4-yl]carbonylpyrrolidin-2-yl]-~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxamide
FormulaC24 H21 Cl2 N5 O4
Molecular Weight514.361
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O)NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl
SMILESCACTVS3.385OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cncc3Cl)C(=O)NC4Cc5ccccc5C4
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)c5c(cncc5Cl)Cl)O
Canonical SMILESCACTVS3.385 OC1=C(N=C(NC1=O)[C@@H]2CCCN2C(=O)c3c(Cl)cncc3Cl)C(=O)NC4Cc5ccccc5C4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O
InChIInChI1.03 InChI=1S/C24H21Cl2N5O4/c25-15-10-27-11-16(26)18(15)24(35)31-7-3-6-17(31)21-29-19(20(32)23(34)30-21)22(33)28-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,10-11,14,17,32H,3,6-9H2,(H,28,33)(H,29,30,34)/t17-/m0/s1
InChIKeyInChI1.03 NJMRSWDIFAMYDM-KRWDZBQOSA-N

Related Resource References

Resource NameReference
PubChem 135567346, 131953456