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

Systemtic Name: methyl 2-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-oxo-2-ureido-ethyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(carbamoylamino)-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-ureido-ethyl)thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O5S/c1-28-17(26)11-7-8-13-14(9-11)21-19(29-10-15(24)22-18(20)27)23(16(13)25)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,20,22,24,27)