ethyl 4-(4-methoxyphenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylsulfanyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylsulfanyl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: 1-benzyl-2-(benzylthio)-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H30N2O3S/c1-4-34-28(32)26-21(2)31(19-22-11-7-5-8-12-22)29(35-20-23-13-9-6-10-14-23)30-27(26)24-15-17-25(33-3)18-16-24/h5-18,27H,4,19-20H2,1-3H3