N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3,5-dimethyl-N'-(2-methylcyclohexyl)piperazine-1-carboximidamide

Systemtic Name: N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3,5-dimethyl-N'-(2-methylcyclohexyl)piperazine-1-carboximidamide Openeye Name: N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-oxo-quinazolin-7-yl]-3,5-dimethyl-N'-(2-methylcyclohexyl)piperazine-1-carboxamidine CAS Name: N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxo-7-quinazolinyl]-3,5-dimethyl-N'-(2-methylcyclohexyl)-1-piperazinecarboximidamide IUPAC Name: N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-3,5-dimethyl-N'-(2-methylcyclohexyl)piperazine-1-carboximidamide Traditional Name: N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-keto-quinazolin-7-yl]-3,5-dimethyl-N'-(2-methylcyclohexyl)piperazine-1-carboxamidine Formula: C31H41FN6O2 MolecularWeight: 548.694643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=C(NC2=CC3=C(C=C2)C(=O)N(C=N3)CCC4=C(C=C(C=C4)OC)F)N5CC(NC(C5)C)C

Isomeric SMILES

CC1CCCCC1N=C(NC2=CC3=C(C=C2)C(=O)N(C=N3)CCC4=C(C=C(C=C4)OC)F)N5CC(NC(C5)C)C

InChI

InChI=1S/C31H41FN6O2/c1-20-7-5-6-8-28(20)36-31(38-17-21(2)34-22(3)18-38)35-24-10-12-26-29(15-24)33-19-37(30(26)39)14-13-23-9-11-25(40-4)16-27(23)32/h9-12,15-16,19-22,28,34H,5-8,13-14,17-18H2,1-4H3,(H,35,36)