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

Systemtic Name: methyl 3-butyl-2-[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-acetylhydrazino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(acetylhydrazo)-2-oxoethyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(N'-acetylhydrazino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-4-5-8-22-16(25)13-7-6-12(17(26)27-3)9-14(13)19-18(22)28-10-15(24)21-20-11(2)23/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23)(H,21,24)