2-[[azanyl-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methyl]amino]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[azanyl-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methyl]amino]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methyl]amino]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[amino-[4-(2-pyrimidinyl)-1-piperazin-1-iumylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methyl]amino]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[amino-[4-(2-pyrimidyl)piperazin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one Formula: C14H19N8O+ MolecularWeight: 315.35366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NC(=[N+]2CCN(CC2)C3=NC=CC=N3)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)NC(=[N+]2CCN(CC2)C3=NC=CC=N3)N

InChI

InChI=1S/C14H18N8O/c1-10-9-11(23)19-13(18-10)20-12(15)21-5-7-22(8-6-21)14-16-3-2-4-17-14/h2-4,9H,5-8H2,1H3,(H3,15,18,19,20,23)/p+1