2-azanyl-9-[3-methyl-3,4,4-tris(oxidanyl)butyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-methyl-3,4,4-tris(oxidanyl)butyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-(3,4,4-trihydroxy-3-methyl-butyl)-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-(3,4,4-trihydroxy-3-methylbutyl)-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-(3,4,4-trihydroxy-3-methylbutyl)-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-(3,4,4-trihydroxy-3-methyl-butyl)-7,8-dihydro-3H-purin-6-one Formula: C10H17N5O4 MolecularWeight: 271.27308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CNC2=C1NC(=NC2=O)N)(C(O)O)O

Isomeric SMILES

CC(CCN1CNC2=C1NC(=NC2=O)N)(C(O)O)O

InChI

InChI=1S/C10H17N5O4/c1-10(19,8(17)18)2-3-15-4-12-5-6(15)13-9(11)14-7(5)16/h8,12,17-19H,2-4H2,1H3,(H3,11,13,14,16)