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

Systemtic Name: 2-azanyl-9-[(4R,5S)-3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(4R,5S)-4,5-dihydroxy-3-methylol-cyclopent-2-en-1-yl]-3H-purin-6-one Formula: C11H13N5O4 MolecularWeight: 279.25202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(C1N2C=NC3=C2NC(=NC3=O)N)O)O)CO

Isomeric SMILES

C1=C([C@H]([C@H](C1N2C=NC3=C2NC(=NC3=O)N)O)O)CO

InChI

InChI=1S/C11H13N5O4/c12-11-14-9-6(10(20)15-11)13-3-16(9)5-1-4(2-17)7(18)8(5)19/h1,3,5,7-8,17-19H,2H2,(H3,12,14,15,20)/t5?,7-,8+/m1/s1