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

Systemtic Name: butyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: butyl 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid butyl ester IUPAC Name: butyl 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-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-methyl-pyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxylic acid butyl ester Formula: C27H36N7O4+ MolecularWeight: 522.61924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O4/c1-4-5-14-38-27(36)32-12-13-34(22(17-32)16-24(28)35,18-21-6-8-23(37-3)9-7-21)25-15-20(2)30-26(31-25)33-11-10-29-19-33/h6-11,15,19,22H,4-5,12-14,16-18H2,1-3H3,(H-,28,35)/p+1