methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N

InChI

InChI=1S/C16H19N3O4S/c1-3-4-7-19-14(21)11-6-5-10(15(22)23-2)8-12(11)18-16(19)24-9-13(17)20/h5-6,8H,3-4,7,9H2,1-2H3,(H2,17,20)