2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C28H35N7O6 MolecularWeight: 565.6208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCCOC

InChI

InChI=1S/C28H35N7O6/c1-19(2)22-14-25(32-27(31-22)34-7-6-29-17-34)35-9-8-33(28(37)39-11-10-38-3)16-21(35)13-26(36)30-15-20-4-5-23-24(12-20)41-18-40-23/h4-7,12,14,17,19,21H,8-11,13,15-16,18H2,1-3H3,(H,30,36)