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

Systemtic Name: methyl 2-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-(2-oxo-2-ureido-ethyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-(carbamoylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(2-keto-2-ureido-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-3-4-7-21-14(23)11-6-5-10(15(24)26-2)8-12(11)19-17(21)27-9-13(22)20-16(18)25/h5-6,8H,3-4,7,9H2,1-2H3,(H3,18,20,22,25)