N-(6-methoxypyridin-3-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methoxypyridin-3-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(6-methoxy-3-pyridyl)acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(6-methoxy-3-pyridinyl)acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-methoxypyridin-3-yl)acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(6-methoxy-3-pyridyl)acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H20N4O4S/c1-27-17-8-7-13(11-20-17)21-16(25)12-28-19-22-15-6-3-2-5-14(15)18(26)23(19)9-4-10-24/h2-3,5-8,11,24H,4,9-10,12H2,1H3,(H,21,25)