6,7-dimethoxy-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-(3-pyridylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-3-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-3-(3-pyridylmethyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C16H15N3O3S/c1-21-13-6-11-12(7-14(13)22-2)18-16(23)19(15(11)20)9-10-4-3-5-17-8-10/h3-8H,9H2,1-2H3,(H,18,23)