8-azanyl-7-butan-2-yl-3-methyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-azanyl-7-butan-2-yl-3-methyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-amino-3-methyl-7-sec-butyl-9H-purin-7-ium-2,6-dione CAS Name: 8-amino-7-butan-2-yl-3-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-amino-7-butan-2-yl-3-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-amino-3-methyl-7-sec-butyl-9H-purin-7-ium-2,6-quinone Formula: C10H16N5O2+ MolecularWeight: 238.26634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(NC2=C1C(=O)NC(=O)N2C)N

Isomeric SMILES

CCC(C)[N+]1=C(NC2=C1C(=O)NC(=O)N2C)N

InChI

InChI=1S/C10H15N5O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h5H,4H2,1-3H3,(H3,11,12,13,16,17)/p+1