propan-2-yl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: propan-2-yl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: isopropyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylic acid isopropyl ester Formula: C27H33N7O5 MolecularWeight: 535.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCCO5)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCCC4=CC5=C(C=C4)OCCO5)C(=O)OC(C)C

InChI

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