6-azanyl-3-ethyl-9-methyl-7H-purin-3-ium-8-one

Systemtic Name: 6-azanyl-3-ethyl-9-methyl-7H-purin-3-ium-8-one Openeye Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one CAS Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one IUPAC Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one Traditional Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one Formula: C8H12N5O+ MolecularWeight: 194.21378

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N=C1)N)NC(=O)N2C

Isomeric SMILES

CC[N+]1=C2C(=C(N=C1)N)NC(=O)N2C

InChI

InChI=1S/C8H11N5O/c1-3-13-4-10-6(9)5-7(13)12(2)8(14)11-5/h4,9H,3H2,1-2H3,(H,11,14)/p+1