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

Systemtic Name: 2-azanyl-9-[(4S,5R)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(4S,5R)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(4S,5R)-4,5-bis(hydroxymethyl)-1-cyclohex-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(4S,5R)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(4S,5R)-4,5-dimethylolcyclohex-2-en-1-yl]-3H-purin-6-one Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1CO)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H]([C@H](C=CC1N2C=NC3=C2NC(=NC3=O)N)CO)CO

InChI

InChI=1S/C13H17N5O3/c14-13-16-11-10(12(21)17-13)15-6-18(11)9-2-1-7(4-19)8(3-9)5-20/h1-2,6-9,19-20H,3-5H2,(H3,14,16,17,21)/t7-,8+,9?/m1/s1