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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-25-10-2-9-22-17(24)14-4-3-12(11-15(14)21-18(22)26)16(23)20-13-5-7-19-8-6-13/h3-8,11H,2,9-10H2,1H3,(H,21,26)(H,19,20,23)