methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-methoxypropyl)-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropyl)-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC#C

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC#C

InChI

InChI=1S/C19H21N3O5S/c1-4-8-20-16(23)12-28-19-21-15-11-13(18(25)27-3)6-7-14(15)17(24)22(19)9-5-10-26-2/h1,6-7,11H,5,8-10,12H2,2-3H3,(H,20,23)