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

Systemtic Name: 9-[(1R,4S,5S)-4-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 9-[(1R,4S,5S)-4,5-dihydroxy-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 9-[(1R,4S,5S)-4,5-dihydroxy-4-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 9-[(1R,4S,5S)-4,5-dihydroxy-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 9-[(1R,4S,5S)-4,5-dihydroxy-4-methylol-cyclopent-2-en-1-yl]-3H-purin-6-one Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O4/c16-3-11(19)2-1-6(8(11)17)15-5-14-7-9(15)12-4-13-10(7)18/h1-2,4-6,8,16-17,19H,3H2,(H,12,13,18)/t6-,8+,11+/m1/s1