2-azanyl-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethyl-cyclopentyl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethyl-cyclopentyl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethyl-cyclopentyl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclopentyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclopentyl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S,3R)-2,2-dimethyl-3-methylol-cyclopentyl]methyl]-3H-purin-6-one Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1CO)CN2C=NC3=C2NC(=NC3=O)N)C

Isomeric SMILES

CC1([C@H](CC[C@H]1CO)CN2C=NC3=C2NC(=NC3=O)N)C

InChI

InChI=1S/C14H21N5O2/c1-14(2)8(3-4-9(14)6-20)5-19-7-16-10-11(19)17-13(15)18-12(10)21/h7-9,20H,3-6H2,1-2H3,(H3,15,17,18,21)/t8-,9+/m1/s1