propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: isopropyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid isopropyl ester Formula: C25H29N7O5 MolecularWeight: 507.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC(C)C

InChI

InChI=1S/C25H29N7O5/c1-16(2)37-25(34)32-9-8-30(22-10-17(3)28-24(29-22)31-7-6-26-14-31)13-19(32)23(33)27-12-18-4-5-20-21(11-18)36-15-35-20/h4-7,10-11,14,16,19H,8-9,12-13,15H2,1-3H3,(H,27,33)