6-propyl-2-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[4-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C22H26N6O/c1-2-3-19-14-21(29)26-22(25-19)18-6-4-17(5-7-18)16-27-10-12-28(13-11-27)20-15-23-8-9-24-20/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,25,26,29)/p+1