butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid butyl ester Formula: C27H33N7O5 MolecularWeight: 535.59482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCCCOC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C27H33N7O5/c1-2-3-12-39-27(36)32-10-11-34(24-6-7-29-26(31-24)33-9-8-28-19-33)21(18-32)16-25(35)30-17-20-4-5-22-23(15-20)38-14-13-37-22/h4-9,15,19,21H,2-3,10-14,16-18H2,1H3,(H,30,35)