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

Systemtic Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C25H28ClN7O6 MolecularWeight: 557.98612

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COCCOC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H28ClN7O6/c1-36-8-9-37-25(35)31-6-7-33(22-12-21(26)29-24(30-22)32-5-4-27-15-32)18(14-31)11-23(34)28-13-17-2-3-19-20(10-17)39-16-38-19/h2-5,10,12,15,18H,6-9,11,13-14,16H2,1H3,(H,28,34)