ethyl 1-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(4-butoxycarbonylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(4-butoxycarbonylanilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H29N3O6S/c1-3-5-15-36-25(33)20-11-13-21(14-12-20)29-23(31)17-30-24(32)22(26(34)35-4-2)16-28-27(30)37-18-19-9-7-6-8-10-19/h6-14,16H,3-5,15,17-18H2,1-2H3,(H,29,31)