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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[1-(4-methylphenoxy)ethyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide Formula: C27H37N8O3+ MolecularWeight: 521.63448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC(=C2)C)N3C=CN=C3)C(C)OC4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC(=C2)C)N3C=CN=C3)C(C)OC4=CC=C(C=C4)C

InChI

InChI=1S/C27H36N8O3/c1-5-10-30-27(37)33-13-14-35(22(17-33)16-24(28)36,21(4)38-23-8-6-19(2)7-9-23)25-15-20(3)31-26(32-25)34-12-11-29-18-34/h6-9,11-12,15,18,21-22H,5,10,13-14,16-17H2,1-4H3,(H2-,28,30,36,37)/p+1