3-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanylquinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-veratryl-quinazolin-4-one Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H25FN2O4S/c1-33-24-14-9-18(16-25(24)34-2)17-30-26(32)21-6-3-4-7-22(21)29-27(30)35-15-5-8-23(31)19-10-12-20(28)13-11-19/h3-4,6-7,9-14,16H,5,8,15,17H2,1-2H3