O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-ethyl 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-[1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: 3-O-(1-benzylpiperidin-4-yl) 5-O-ethyl 4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-ethyl ester Formula: C43H63N3O5S MolecularWeight: 734.04242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=S)N2C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=S)N2C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C)C(=O)OCC

InChI

InChI=1S/C43H63N3O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-25-35-26-22-27-37(49-4)39(35)40-38(41(47)50-6-2)33(3)44-42(52)46(40)43(48)51-36-28-30-45(31-29-36)32-34-23-19-18-20-24-34/h18-20,22-24,26-27,36,40H,5-17,21,25,28-32H2,1-4H3,(H,44,52)