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

Systemtic Name: butan-2-yl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate Openeye Name: sec-butyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylic acid sec-butyl ester Formula: C26H30ClN7O5 MolecularWeight: 556.0133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCC(C)OC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H30ClN7O5/c1-3-17(2)39-26(36)34-9-8-32(23-13-22(27)30-25(31-23)33-7-6-28-16-33)15-19(34)24(35)29-14-18-4-5-20-21(12-18)38-11-10-37-20/h4-7,12-13,16-17,19H,3,8-11,14-15H2,1-2H3,(H,29,35)