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

Systemtic Name: 2-azanyl-9-[(1S,3R,4R)-3,4-bis(hydroxymethyl)-3-oxidanyl-cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3R,4R)-3-hydroxy-3,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3R,4R)-3-hydroxy-3,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3R,4R)-3-hydroxy-3,4-bis(hydroxymethyl)cyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3R,4R)-3-hydroxy-3,4-dimethylol-cyclopentyl]-3H-purin-6-one Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c13-11-15-9-8(10(20)16-11)14-5-17(9)7-1-6(3-18)12(21,2-7)4-19/h5-7,18-19,21H,1-4H2,(H3,13,15,16,20)/t6-,7+,12+/m1/s1