3-(3,4-dimethoxyphenyl)carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxybenzoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethoxybenzoyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-2-thioxo-3-veratroyl-1H-quinazolin-4-one Formula: C17H13IN2O4S MolecularWeight: 468.26559

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)OC

InChI

InChI=1S/C17H13IN2O4S/c1-23-13-6-3-9(7-14(13)24-2)15(21)20-16(22)11-8-10(18)4-5-12(11)19-17(20)25/h3-8H,1-2H3,(H,19,25)