1,3-dimethyl-2,4-bis(oxidanylidene)-6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]pyrimidine-5-carbonitrile Formula: C18H25N8O2+ MolecularWeight: 385.4435

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H24N8O2/c1-23-15(14(13-19)16(27)24(2)18(23)28)20-7-4-8-25-9-11-26(12-10-25)17-21-5-3-6-22-17/h3,5-6,20H,4,7-12H2,1-2H3/p+1