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

Systemtic Name: 2-azanyl-9-[2-[2-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[2-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-[2-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-[2-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]ethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-(2-methyl-2-methylol-1,3-dioxan-5-yl)ethyl]-3H-purin-6-one Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCN2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

CC1(OCC(CO1)CCN2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C13H19N5O4/c1-13(6-19)21-4-8(5-22-13)2-3-18-7-15-9-10(18)16-12(14)17-11(9)20/h7-8,19H,2-6H2,1H3,(H3,14,16,17,20)