[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] butanoate CAS Name: butanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] butanoate Traditional Name: butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H19N5O5/c1-2-3-9(20)22-5-8(4-19)23-7-18-6-15-10-11(18)16-13(14)17-12(10)21/h6,8,19H,2-5,7H2,1H3,(H3,14,16,17,21)