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

Systemtic Name: O3-[1-(phenylmethyl)piperidin-4-yl] O5-propan-2-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-isopropyl 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 O3-[1-(phenylmethyl)-4-piperidinyl] ester O5-propan-2-yl ester IUPAC Name: 3-O-(1-benzylpiperidin-4-yl) 5-O-propan-2-yl 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-isopropyl ester Formula: C44H65N3O5S MolecularWeight: 748.069

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C44H65N3O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-25-36-26-22-27-38(50-5)40(36)41-39(42(48)51-33(2)3)34(4)45-43(53)47(41)44(49)52-37-28-30-46(31-29-37)32-35-23-19-18-20-24-35/h18-20,22-24,26-27,33,37,41H,6-17,21,25,28-32H2,1-5H3,(H,45,53)