2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C12H21N4O+ MolecularWeight: 237.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H20N4O/c1-9(2)10-8-11(17)14-12(13-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,17)/p+1