4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methoxy]-4-oxo-butanoic acid CAS Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methoxy]-4-oxobutanoic acid IUPAC Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methoxy]-4-oxobutanoic acid Traditional Name: 4-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methoxy]-4-keto-butyric acid Formula: C13H19N5O7 MolecularWeight: 357.31926

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCO)OC(=O)CCC(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCO)OC(=O)CCC(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H19N5O7/c14-12-16-10-9(11(23)17-12)15-6-18(10)13(24-5-1-4-19)25-8(22)3-2-7(20)21/h13,15,19H,1-6H2,(H,20,21)(H3,14,16,17,23)