2-azanyl-9-hexyl-7-methyl-3H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-hexyl-7-methyl-3H-purine-6,8-dione Openeye Name: 2-amino-9-hexyl-7-methyl-3H-purine-6,8-dione CAS Name: 2-amino-9-hexyl-7-methyl-3H-purine-6,8-dione IUPAC Name: 2-amino-9-hexyl-7-methyl-3H-purine-6,8-dione Traditional Name: 2-amino-9-hexyl-7-methyl-3H-purine-6,8-quinone Formula: C12H19N5O2 MolecularWeight: 265.31156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N=C(N2)N)N(C1=O)C

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N=C(N2)N)N(C1=O)C

InChI

InChI=1S/C12H19N5O2/c1-3-4-5-6-7-17-9-8(16(2)12(17)19)10(18)15-11(13)14-9/h3-7H2,1-2H3,(H3,13,14,15,18)