3-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-imidazolyl)propyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCN3C=CN=C3)OC

InChI

InChI=1S/C16H18N4O3S/c1-22-13-8-11-12(9-14(13)23-2)18-16(24)20(15(11)21)6-3-5-19-7-4-17-10-19/h4,7-10H,3,5-6H2,1-2H3,(H,18,24)