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

Systemtic Name: propan-2-yl 4-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-piperonyloyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NC(=N4)C5=CC=CC=C5)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NC(=N4)C5=CC=CC=C5)C)C(=O)OC(C)C

InChI

InChI=1S/C29H30N4O6/c1-17(2)39-29(36)24-19(4)30-26(20-8-6-5-7-9-20)31-25(24)28(35)32-12-13-33(18(3)15-32)27(34)21-10-11-22-23(14-21)38-16-37-22/h5-11,14,17-18H,12-13,15-16H2,1-4H3