butan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: sec-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid sec-butyl ester Formula: C26H31N7O5 MolecularWeight: 521.56824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C26H31N7O5/c1-3-18(2)38-26(35)33-9-8-31(23-13-24(30-16-29-23)32-7-6-27-17-32)15-20(33)25(34)28-14-19-4-5-21-22(12-19)37-11-10-36-21/h4-7,12-13,16-18,20H,3,8-11,14-15H2,1-2H3,(H,28,34)