methyl 3-butyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCC3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O4S/c1-3-4-11-23-18(25)15-8-7-14(19(26)27-2)12-16(15)21-20(23)28-13-17(24)22-9-5-6-10-22/h7-8,12H,3-6,9-11,13H2,1-2H3