3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-[1-(2-thienyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-4-(1-thiophen-2-ylethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-[1-(2-thienyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C23H30ClN8O2S+ MolecularWeight: 518.0547

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC=CS4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)C4=CC=CS4

InChI

InChI=1S/C23H29ClN8O2S/c1-3-6-27-23(34)30-9-10-32(17(14-30)12-20(25)33,16(2)18-5-4-11-35-18)21-13-19(24)28-22(29-21)31-8-7-26-15-31/h4-5,7-8,11,13,15-17H,3,6,9-10,12,14H2,1-2H3,(H2-,25,27,33,34)/p+1