3-[2-(cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[2-(cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[2-(cyanoamino)-6-isobutyl-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[2-(cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[2-(cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[2-(cyanoamino)-6-isobutyl-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propionamide Formula: C18H21N6O3+ MolecularWeight: 369.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+]=C(N=C(C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NC#N

Isomeric SMILES

CC(C)CC1=[N+]=C(N=C(C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NC#N

InChI

InChI=1S/C18H20N6O3/c1-12(2)9-14-10-13(21-18(22-14)20-11-19)7-8-17(25)23-15-5-3-4-6-16(15)24(26)27/h3-6,12H,7-10H2,1-2H3,(H,23,25)/p+1