3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-[(4-methylphenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[(4-methylphenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-(4-methylbenzyl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C28H39N8O2+ MolecularWeight: 519.66166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N8O2/c1-5-10-31-28(38)34-13-14-36(23(17-34)15-25(29)37,18-22-8-6-21(4)7-9-22)26-16-24(20(2)3)32-27(33-26)35-12-11-30-19-35/h6-9,11-12,16,19-20,23H,5,10,13-15,17-18H2,1-4H3,(H2-,29,31,37,38)/p+1