KC8

2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one

Created: 2019-05-11
Last modified:  2019-05-22

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count43
Aromatic Bond Count12
2D diagram of KC8

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Chemical Component Summary

Name2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one
FormulaC18 H16 N4 O2
Molecular Weight320.345
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[C]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
SMILESOpenEye OEToolkits2.0.7CC1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
Canonical SMILESCACTVS3.385 C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
InChIInChI1.03 InChI=1S/C18H16N4O2/c1-18(10-19-17(24)22-18)12-8-6-11(7-9-12)15-20-14-5-3-2-4-13(14)16(23)21-15/h2-9H,10H2,1H3,(H2,19,22,24)(H,20,21,23)/t18-/m1/s1
InChIKeyInChI1.03 CVVFEJJXIBBZNQ-GOSISDBHSA-N

Related Resource References

Resource NameReference
PubChem 135567259, 133053965