2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-amino-9-(4-hydroxy-3-methylol-butyl)-3H-purin-6-one Formula: C18H26N10O6 MolecularWeight: 478.46244

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C10H15N5O3.C8H11N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h5-6,16-17H,1-4H2,(H3,11,13,14,18);3,14H,1-2,4H2,(H3,9,11,12,15)