methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxylic acid methyl ester Formula: C26H34N7O4+ MolecularWeight: 508.59266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OC)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N7O4/c1-18(2)22-14-24(30-25(29-22)32-10-9-28-17-32)33(16-19-5-7-21(36-3)8-6-19)12-11-31(26(35)37-4)15-20(33)13-23(27)34/h5-10,14,17-18,20H,11-13,15-16H2,1-4H3,(H-,27,34)/p+1