2-azanyl-9-(3-oxidanylpropoxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(3-oxidanylpropoxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-(3-hydroxypropoxymethyl)-3H-purin-6-one CAS Name: 2-amino-9-(3-hydroxypropoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(3-hydroxypropoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-(3-hydroxypropoxymethyl)-3H-purin-6-one Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCCO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCCO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O3/c10-9-12-7-6(8(16)13-9)11-4-14(7)5-17-3-1-2-15/h4,15H,1-3,5H2,(H3,10,12,13,16)