3-(4-azanylidene-3-cycloheptyl-6,7-dimethoxy-quinazolin-2-yl)sulfanyl-1-phenyl-propan-1-one

Systemtic Name: 3-(4-azanylidene-3-cycloheptyl-6,7-dimethoxy-quinazolin-2-yl)sulfanyl-1-phenyl-propan-1-one Openeye Name: 3-(3-cycloheptyl-4-imino-6,7-dimethoxy-quinazolin-2-yl)sulfanyl-1-phenyl-propan-1-one CAS Name: 3-[(3-cycloheptyl-4-imino-6,7-dimethoxy-2-quinazolinyl)thio]-1-phenyl-1-propanone IUPAC Name: 3-(3-cycloheptyl-4-imino-6,7-dimethoxyquinazolin-2-yl)sulfanyl-1-phenylpropan-1-one Traditional Name: 3-[(3-cycloheptyl-4-imino-6,7-dimethoxy-quinazolin-2-yl)thio]-1-phenyl-propan-1-one Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCCC(=O)C3=CC=CC=C3)C4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCCC(=O)C3=CC=CC=C3)C4CCCCCC4)OC

InChI

InChI=1S/C26H31N3O3S/c1-31-23-16-20-21(17-24(23)32-2)28-26(29(25(20)27)19-12-8-3-4-9-13-19)33-15-14-22(30)18-10-6-5-7-11-18/h5-7,10-11,16-17,19,27H,3-4,8-9,12-15H2,1-2H3