2-azanyl-9-[[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(5-keto-2,2-dimethylol-pyrrolidino)methyl]-3H-purin-6-one Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1=O)CN2C=NC3=C2NC(=NC3=O)N)(CO)CO

Isomeric SMILES

C1CC(N(C1=O)CN2C=NC3=C2NC(=NC3=O)N)(CO)CO

InChI

InChI=1S/C12H16N6O4/c13-11-15-9-8(10(22)16-11)14-5-17(9)6-18-7(21)1-2-12(18,3-19)4-20/h5,19-20H,1-4,6H2,(H3,13,15,16,22)