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

Systemtic Name: 2-azanyl-9-[(1S,4R,5S)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,4R,5S)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,4R,5S)-4,5-bis(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,4R,5S)-4,5-bis(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,4R,5S)-4,5-dimethylolcyclopent-2-en-1-yl]-3H-purin-6-one Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O3/c13-12-15-10-9(11(20)16-12)14-5-17(10)8-2-1-6(3-18)7(8)4-19/h1-2,5-8,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1