2-azanyl-9-[(1R,2R)-2-oxidanylcycloheptyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,2R)-2-oxidanylcycloheptyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-3H-purin-6-one Formula: C12H17N5O2 MolecularWeight: 263.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CC[C@H]([C@@H](CC1)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H17N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)7-4-2-1-3-5-8(7)18/h6-8,18H,1-5H2,(H3,13,15,16,19)/t7-,8-/m1/s1