methyl 3-(2-methylpropyl)-4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[(2-keto-2-piperidino-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S/c1-14(2)12-24-19(26)16-8-7-15(20(27)28-3)11-17(16)22-21(24)29-13-18(25)23-9-5-4-6-10-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3