2-azanyl-7-methyl-9-propan-2-yl-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-7-methyl-9-propan-2-yl-3H-purin-9-ium-6-one Openeye Name: 2-amino-9-isopropyl-7-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-7-methyl-9-propan-2-yl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-methyl-9-propan-2-yl-3H-purin-9-ium-6-one Traditional Name: 2-amino-9-isopropyl-7-methyl-3H-purin-9-ium-6-one Formula: C9H14N5O+ MolecularWeight: 208.24036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CN(C2=C1NC(=NC2=O)N)C

Isomeric SMILES

CC(C)[N+]1=CN(C2=C1NC(=NC2=O)N)C

InChI

InChI=1S/C9H13N5O/c1-5(2)14-4-13(3)6-7(14)11-9(10)12-8(6)15/h4-5H,1-3H3,(H2-,10,11,12,15)/p+1