methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methoxy-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methoxy-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methoxy-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methoxy-4-pyrimidinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methoxypyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-methoxy-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid methyl ester Formula: C24H27N7O6 MolecularWeight: 509.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)OC)N5C=CN=C5

Isomeric SMILES

COC1=NC(=NC(=C1)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)OC)N5C=CN=C5

InChI

InChI=1S/C24H27N7O6/c1-34-22-11-20(27-23(28-22)30-6-5-25-14-30)29-7-8-31(24(33)35-2)17(13-29)10-21(32)26-12-16-3-4-18-19(9-16)37-15-36-18/h3-6,9,11,14,17H,7-8,10,12-13,15H2,1-2H3,(H,26,32)