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

Systemtic Name: O3-[1-(phenylmethyl)piperidin-4-yl] O5-propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-isopropyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-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 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-isopropyl ester Formula: C28H32N4O6S MolecularWeight: 552.64188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C28H32N4O6S/c1-18(2)37-26(33)24-19(3)29-27(39)31(25(24)21-10-7-11-22(16-21)32(35)36)28(34)38-23-12-14-30(15-13-23)17-20-8-5-4-6-9-20/h4-11,16,18,23,25H,12-15,17H2,1-3H3,(H,29,39)