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

Systemtic Name: butan-2-yl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: sec-butyl 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)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-p-anisyl-piperazin-4-ium-1-carboxylic acid sec-butyl ester Formula: C26H33ClN7O4+ MolecularWeight: 543.03772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCC(C)OC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C26H32ClN7O4/c1-4-18(2)38-26(36)32-11-12-34(20(15-32)13-23(28)35,16-19-5-7-21(37-3)8-6-19)24-14-22(27)30-25(31-24)33-10-9-29-17-33/h5-10,14,17-18,20H,4,11-13,15-16H2,1-3H3,(H-,28,35)/p+1