2-azanyl-9-[[(2S,3R)-2,3-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S,3R)-2,3-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(2S,3R)-2,3-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S,3R)-2,3-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S,3R)-2,3-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(2S,3R)-2,3-dimethylolcyclopropylidene]methyl]-3H-purin-6-one Formula: C11H13N5O3 MolecularWeight: 263.25262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C=C3C(C3CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C=C3[C@@H]([C@@H]3CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C11H13N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)1-5-6(2-17)7(5)3-18/h1,4,6-7,17-18H,2-3H2,(H3,12,14,15,19)/t6-,7+