2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-7H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-7H-purine-6,8-dione Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-7H-purine-6,8-dione CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-7H-purine-6,8-dione IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-7H-purine-6,8-dione Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-methyl-7H-purine-6,8-quinone Formula: C11H15N5O6 MolecularWeight: 313.2667

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1N)N(C(=O)N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C1N)N(C(=O)N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C11H15N5O6/c1-15-8(20)4-7(14-10(15)12)16(11(21)13-4)9-6(19)5(18)3(2-17)22-9/h3,5-6,9,17-19H,2H2,1H3,(H2,12,14)(H,13,21)