N'-[4,4-bis(fluoranyl)cyclohexyl]-N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3-methyl-piperazine-1-carboximidamide

Systemtic Name: N'-[4,4-bis(fluoranyl)cyclohexyl]-N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3-methyl-piperazine-1-carboximidamide Openeye Name: N'-(4,4-difluorocyclohexyl)-N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-oxo-quinazolin-7-yl]-3-methyl-piperazine-1-carboxamidine CAS Name: N'-(4,4-difluorocyclohexyl)-N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxo-7-quinazolinyl]-3-methyl-1-piperazinecarboximidamide IUPAC Name: N'-(4,4-difluorocyclohexyl)-N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-3-methylpiperazine-1-carboximidamide Traditional Name: N'-(4,4-difluorocyclohexyl)-N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-keto-quinazolin-7-yl]-3-methyl-piperazine-1-carboxamidine Formula: C29H35F3N6O2 MolecularWeight: 556.62241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=NC2CCC(CC2)(F)F)NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F

Isomeric SMILES

CC1CN(CCN1)C(=NC2CCC(CC2)(F)F)NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F

InChI

InChI=1S/C29H35F3N6O2/c1-19-17-37(14-12-33-19)28(35-21-7-10-29(31,32)11-8-21)36-22-4-6-24-26(15-22)34-18-38(27(24)39)13-9-20-3-5-23(40-2)16-25(20)30/h3-6,15-16,18-19,21,33H,7-14,17H2,1-2H3,(H,35,36)