O3-[1-(phenylmethyl)piperidin-4-yl] O5-propan-2-yl 4-(2-ethoxy-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-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-isopropyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-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-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-isopropyl ester Formula: C45H67N3O5S MolecularWeight: 762.09558

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C45H67N3O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-26-37-27-23-28-39(51-7-2)41(37)42-40(43(49)52-34(3)4)35(5)46-44(54)48(42)45(50)53-38-29-31-47(32-30-38)33-36-24-20-19-21-25-36/h19-21,23-25,27-28,34,38,42H,6-18,22,26,29-33H2,1-5H3,(H,46,54)