2-azanyl-7-[(1-azanyl-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[(1-azanyl-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[[1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-7-[(1-amino-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[(1-amino-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[[1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C9H14N6O3 MolecularWeight: 254.24586

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CN)CO)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1COC(CN)CO)C(=O)N=C(N2)N

InChI

InChI=1S/C9H14N6O3/c10-1-5(2-16)18-4-15-3-12-7-6(15)8(17)14-9(11)13-7/h3,5,16H,1-2,4,10H2,(H3,11,13,14,17)