[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-methoxy-butyl]phosphonic acid

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-methoxy-butyl]phosphonic acid Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-methoxy-butyl]phosphonic acid CAS Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-methoxybutyl]phosphonic acid IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-methoxybutyl]phosphonic acid Traditional Name: [3-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-4-methoxy-butyl]phosphonic acid Formula: C11H18N5O6P MolecularWeight: 347.264281

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCP(=O)(O)O)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

COCC(CCP(=O)(O)O)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H18N5O6P/c1-21-4-7(2-3-23(18,19)20)22-6-16-5-13-8-9(16)14-11(12)15-10(8)17/h5,7H,2-4,6H2,1H3,(H2,18,19,20)(H3,12,14,15,17)