3-(3-methoxypropyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-(3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)NC1=S

InChI

InChI=1S/C18H18N4O3S/c1-25-9-3-8-22-17(24)14-6-5-12(10-15(14)21-18(22)26)16(23)20-13-4-2-7-19-11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,20,23)(H,21,26)