9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 9-[(1R,4S,5R)-4,5-dimethylolcyclopent-2-en-1-yl]-3H-purin-6-one Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C1CO)CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3/c17-3-7-1-2-9(8(7)4-18)16-6-15-10-11(16)13-5-14-12(10)19/h1-2,5-9,17-18H,3-4H2,(H,13,14,19)/t7-,8-,9-/m1/s1