8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C17H29N6O4+ MolecularWeight: 381.44996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)CCO)CCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)CCO)CCCO

InChI

InChI=1S/C17H28N6O4/c1-19-15-14(16(26)20(2)17(19)27)23(4-3-10-24)13(18-15)12-22-7-5-21(6-8-22)9-11-25/h24-25H,3-12H2,1-2H3/p+1