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

Systemtic Name: methyl 2-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-(2-oxo-2-ureido-ethyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(carbamoylamino)-2-oxoethyl]thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[(2-keto-2-ureido-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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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)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN4O5S/c1-30-18(28)11-6-7-13-15(8-11)23-20(31-10-16(26)24-19(22)29)25(17(13)27)9-12-4-2-3-5-14(12)21/h2-8H,9-10H2,1H3,(H3,22,24,26,29)