2-hydroxyethyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate

Systemtic Name: 2-hydroxyethyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate Openeye Name: 2-hydroxyethyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate CAS Name: 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate Traditional Name: 3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzoic acid 2-hydroxyethyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OCCO

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OCCO

InChI

InChI=1S/C19H23N5O5/c1-2-3-8-29-18-22-15(20)14-16(23-18)24(19(27)21-14)11-12-5-4-6-13(10-12)17(26)28-9-7-25/h4-6,10,25H,2-3,7-9,11H2,1H3,(H,21,27)(H2,20,22,23)