2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide

Systemtic Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide Openeye Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide CAS Name: 2-[[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide Traditional Name: 2-[(4-keto-6,7-dimethoxy-3-p-anisyl-quinazolin-2-yl)thio]-N-(3-methoxyphenyl)butyramide Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C29H31N3O6S/c1-6-26(27(33)30-19-8-7-9-21(14-19)36-3)39-29-31-23-16-25(38-5)24(37-4)15-22(23)28(34)32(29)17-18-10-12-20(35-2)13-11-18/h7-16,26H,6,17H2,1-5H3,(H,30,33)