methyl 2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-amino-1-oxopropan-2-yl)sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-1-methyl-ethyl)thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N

InChI

InChI=1S/C17H21N3O4S/c1-4-5-8-20-15(22)12-7-6-11(16(23)24-3)9-13(12)19-17(20)25-10(2)14(18)21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,21)