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

Systemtic Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C26H31N7O6 MolecularWeight: 537.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

InChI

InChI=1S/C26H31N7O6/c1-18-11-23(30-25(29-18)32-6-5-27-16-32)33-8-7-31(26(35)37-10-9-36-2)15-20(33)13-24(34)28-14-19-3-4-21-22(12-19)39-17-38-21/h3-6,11-12,16,20H,7-10,13-15,17H2,1-2H3,(H,28,34)