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

Systemtic Name: methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(p-tolylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(4-methylbenzyl)piperazin-4-ium-1-carboxylic acid methyl ester Formula: C23H27ClN7O3+ MolecularWeight: 484.95858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C23H26ClN7O3/c1-16-3-5-17(6-4-16)14-31(10-9-29(23(33)34-2)13-18(31)11-20(25)32)21-12-19(24)27-22(28-21)30-8-7-26-15-30/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H-,25,32)/p+1