2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3,7-dihydropurine-6,8-dione

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3,7-dihydropurine-6,8-dione Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,7-dihydropurine-6,8-dione CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,7-dihydropurine-6,8-dione IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,7-dihydropurine-6,8-dione Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-3,7-dihydropurine-6,8-quinone Formula: C10H15N5O4 MolecularWeight: 269.2572

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Descriptors Computed from Structure

Canonical SMILES:

C(CN1C2=C(C(=O)N=C(N2)N)NC1=O)C(CO)CO

Isomeric SMILES

C(CN1C2=C(C(=O)N=C(N2)N)NC1=O)C(CO)CO

InChI

InChI=1S/C10H15N5O4/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)2-1-5(3-16)4-17/h5,16-17H,1-4H2,(H,12,19)(H3,11,13,14,18)