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O74

Summary
Name:6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
Formula:C20 H14 Cl N3 O
Formal charge:0
Formula weight:347.798 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6Z)-6-{4-[(2-chlorophenyl)amino]quinazolin-2(1H)-ylidene}cyclohexa-2,4-dien-1-one
OpenEye OEToolkits1.7.6(6E)-6-[4-[(2-chlorophenyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1NC4=N\C(=C2\C=CC=CC2=O)Nc3ccccc34
InChIInChI1.03InChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,22H,(H,23,24)/b20-14-
InChIKeyInChI1.03XRYKEDVLEAYCKO-ZHZULCJRSA-N
SMILES_CANONICALCACTVS3.370Clc1ccccc1NC2=N\C(Nc3ccccc23)=C4/C=CC=CC4=O
SMILESCACTVS3.370Clc1ccccc1NC2=NC(Nc3ccccc23)=C4C=CC=CC4=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=NC(=C3C=CC=CC3=O)N2)Nc4ccccc4Cl

222415

数据于2024-07-10公开中

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