methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-ethoxyphenyl)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-ethoxyphenyl)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-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-ethoxyphenyl)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-ethoxyphenyl)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-ethoxybenzyl)piperazin-4-ium-1-carboxylic acid methyl ester Formula: C24H29ClN7O4+ MolecularWeight: 514.98456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCOC1=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/C24H28ClN7O4/c1-3-36-19-6-4-17(5-7-19)15-32(11-10-30(24(34)35-2)14-18(32)12-21(26)33)22-13-20(25)28-23(29-22)31-9-8-27-16-31/h4-9,13,16,18H,3,10-12,14-15H2,1-2H3,(H-,26,33)/p+1