ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(homoveratrylamino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)SCCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6S/c1-4-36-26(33)21-17-29-27(37-15-13-19-8-6-5-7-9-19)30(25(21)32)18-24(31)28-14-12-20-10-11-22(34-2)23(16-20)35-3/h5-11,16-17H,4,12-15,18H2,1-3H3,(H,28,31)