2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C17H24N10O7 MolecularWeight: 480.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4.C8H11N5O3/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);3,14H,1-2,4H2,(H3,9,11,12,15)