methyl 3-butyl-2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-(butylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCC

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCC

InChI

InChI=1S/C20H27N3O4S/c1-4-6-10-21-17(24)13-28-20-22-16-12-14(19(26)27-3)8-9-15(16)18(25)23(20)11-7-5-2/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,24)