2-azanyl-9-methyl-7-(2-oxidanylpropyl)-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-9-methyl-7-(2-oxidanylpropyl)-3H-purin-9-ium-6-one Openeye Name: 2-amino-7-(2-hydroxypropyl)-9-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-7-(2-hydroxypropyl)-9-methyl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-(2-hydroxypropyl)-9-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-7-(2-hydroxypropyl)-9-methyl-3H-purin-9-ium-6-one Formula: C9H14N5O2+ MolecularWeight: 224.23976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=[N+](C2=C1C(=O)N=C(N2)N)C)O

Isomeric SMILES

CC(CN1C=[N+](C2=C1C(=O)N=C(N2)N)C)O

InChI

InChI=1S/C9H13N5O2/c1-5(15)3-14-4-13(2)7-6(14)8(16)12-9(10)11-7/h4-5,15H,3H2,1-2H3,(H2-,10,11,12,16)/p+1