2-methoxyethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-(4-piperonylpiperazine-1-carbonyl)pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCCOC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCCOC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O6/c1-19-24(28(34)36-15-14-35-2)25(30-26(29-19)21-6-4-3-5-7-21)27(33)32-12-10-31(11-13-32)17-20-8-9-22-23(16-20)38-18-37-22/h3-9,16H,10-15,17-18H2,1-2H3