2-azanyl-9-[4-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-hydroxy-4-(hydroxymethyl)-1-cyclohex-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(5-hydroxy-4-methylol-cyclohex-2-en-1-yl)-3H-purin-6-one Formula: C12H15N5O3 MolecularWeight: 277.2792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1O)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(C=CC(C1O)CO)N2C=NC3=C2NC(=NC3=O)N

InChI

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