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

Systemtic Name: butan-2-yl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: sec-butyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[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)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid sec-butyl ester Formula: C27H33N7O5 MolecularWeight: 535.59482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCC(C)OC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C27H33N7O5/c1-4-19(3)39-27(36)34-10-9-32(24-11-18(2)30-26(31-24)33-8-7-28-16-33)15-21(34)13-25(35)29-14-20-5-6-22-23(12-20)38-17-37-22/h5-8,11-12,16,19,21H,4,9-10,13-15,17H2,1-3H3,(H,29,35)