2-azanyl-9-[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(1S,6R)-6-(hydroxymethyl)-1-cyclohex-3-enyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S,6R)-6-methylolcyclohex-3-en-1-yl]methyl]-3H-purin-6-one Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1CN2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C1C=CC[C@H]([C@H]1CN2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C13H17N5O2/c14-13-16-11-10(12(20)17-13)15-7-18(11)5-8-3-1-2-4-9(8)6-19/h1-2,7-9,19H,3-6H2,(H3,14,16,17,20)/t8-,9+/m1/s1