2-azanyl-9-[2-[2,2-bis(hydroxymethyl)-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-[2,2-bis(hydroxymethyl)-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[2,2-bis(hydroxymethyl)-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-[2,2-bis(hydroxymethyl)-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-[2,2-bis(hydroxymethyl)-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-(2,2-dimethylol-1,3-dioxan-5-yl)ethyl]-3H-purin-6-one Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)(CO)CO)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(COC(O1)(CO)CO)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C13H19N5O5/c14-12-16-10-9(11(21)17-12)15-7-18(10)2-1-8-3-22-13(5-19,6-20)23-4-8/h7-8,19-20H,1-6H2,(H3,14,16,17,21)