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

Systemtic Name: methyl 4-(6-aminocarbonyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(6-carbamoyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[6-carbamoyl-2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(6-carbamoyl-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-carbamoyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid methyl ester Formula: C24H26N8O6 MolecularWeight: 522.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N8O6/c1-36-24(35)32-7-6-30(20-10-17(22(25)34)28-23(29-20)31-5-4-26-13-31)12-16(32)9-21(33)27-11-15-2-3-18-19(8-15)38-14-37-18/h2-5,8,10,13,16H,6-7,9,11-12,14H2,1H3,(H2,25,34)(H,27,33)