2-azanyl-9-[(1R,2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,2R,4R)-2,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,2R,4R)-2,4-dimethylolcyclopentyl]-3H-purin-6-one Formula: C12H17N5O3 MolecularWeight: 279.29508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1CO)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C1[C@H](C[C@H]([C@@H]1CO)N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C12H17N5O3/c13-12-15-10-9(11(20)16-12)14-5-17(10)8-2-6(3-18)1-7(8)4-19/h5-8,18-19H,1-4H2,(H3,13,15,16,20)/t6-,7+,8-/m1/s1