6-ethyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1H-pyrimidin-4-one Formula: C17H24N5O+ MolecularWeight: 314.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N5O/c1-3-13-12-16(23)20-17(18-13)19-14-4-6-15(7-5-14)22-10-8-21(2)9-11-22/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,20,23)/p+1