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

Systemtic Name: 2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 2-[3-(2-furylmethyl)-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)butanamide CAS Name: 2-[[3-(2-furanylmethyl)-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 2-[[3-(2-furfuryl)-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-(4-methylbenzyl)butyramide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CO4)OC)OC

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CO4)OC)OC

InChI

InChI=1S/C27H29N3O5S/c1-5-24(25(31)28-15-18-10-8-17(2)9-11-18)36-27-29-21-14-23(34-4)22(33-3)13-20(21)26(32)30(27)16-19-7-6-12-35-19/h6-14,24H,5,15-16H2,1-4H3,(H,28,31)