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

Systemtic Name: 2-methoxyethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C27H33N7O6 MolecularWeight: 551.59422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OCCOC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OCCOC

InChI

InChI=1S/C27H33N7O6/c1-19-13-24(31-26(30-19)33-6-5-28-18-33)34-8-7-32(27(36)40-10-9-37-2)17-21(34)15-25(35)29-16-20-3-4-22-23(14-20)39-12-11-38-22/h3-6,13-14,18,21H,7-12,15-17H2,1-2H3,(H,29,35)