2-azanyl-9-[(1R,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-cyclohex-2-en-1-yl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-cyclohex-2-en-1-yl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,4R,5S)-4-hydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[(1R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-1-cyclohex-2-enyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,4R,5S)-4-hydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,4R,5S)-4-hydroxy-5-methylol-cyclohex-2-en-1-yl]-7,8-dihydro-3H-purin-6-one Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1CO)O)N2CNC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](C=C[C@H]([C@@H]1CO)O)N2CNC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H17N5O3/c13-12-15-10-9(11(20)16-12)14-5-17(10)7-1-2-8(19)6(3-7)4-18/h1-2,6-8,14,18-19H,3-5H2,(H3,13,15,16,20)/t6-,7-,8+/m0/s1