2-[3-azanyl-4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[3-azanyl-4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)cyclohexyl]ethanoic acid Openeye Name: 2-[3-amino-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)cyclohexyl]acetic acid CAS Name: 2-[3-amino-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)cyclohexyl]acetic acid IUPAC Name: 2-[3-amino-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)cyclohexyl]acetic acid Traditional Name: 2-[3-amino-4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)cyclohexyl]acetic acid Formula: C13H20N6O3 MolecularWeight: 308.3363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1CC(=O)O)N)N2CNC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CC(C(CC1CC(=O)O)N)N2CNC3=C2NC(=NC3=O)N

InChI

InChI=1S/C13H20N6O3/c14-7-3-6(4-9(20)21)1-2-8(7)19-5-16-10-11(19)17-13(15)18-12(10)22/h6-8,16H,1-5,14H2,(H,20,21)(H3,15,17,18,22)