3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8,9-dihydropurine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8,9-dihydropurine-2,6-dione Openeye Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8,9-dihydropurine-2,6-dione CAS Name: 3,7-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]-8,9-dihydropurine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8,9-dihydropurine-2,6-dione Traditional Name: 3,7-dimethyl-1-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]-8,9-dihydropurine-2,6-quinone Formula: C19H29N8O2+ MolecularWeight: 401.48596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNC2=C1C(=O)N(C(=O)N2C)CCCC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1CNC2=C1C(=O)N(C(=O)N2C)CCCC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H28N8O2/c1-23-14-22-16-15(23)17(28)27(19(29)24(16)2)9-4-3-8-25-10-12-26(13-11-25)18-20-6-5-7-21-18/h5-7,22H,3-4,8-14H2,1-2H3/p+1