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

Systemtic Name: methyl 3-[[6-azanyl-8-oxidanylidene-2-(3-oxidanylpropyl)-7H-purin-9-yl]methyl]benzoate Openeye Name: methyl 3-[[6-amino-2-(3-hydroxypropyl)-8-oxo-7H-purin-9-yl]methyl]benzoate CAS Name: 3-[[6-amino-2-(3-hydroxypropyl)-8-oxo-7H-purin-9-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-amino-2-(3-hydroxypropyl)-8-oxo-7H-purin-9-yl]methyl]benzoate Traditional Name: 3-[[6-amino-2-(3-hydroxypropyl)-8-keto-7H-purin-9-yl]methyl]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)CCCO)N)NC2=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)CCCO)N)NC2=O

InChI

InChI=1S/C17H19N5O4/c1-26-16(24)11-5-2-4-10(8-11)9-22-15-13(21-17(22)25)14(18)19-12(20-15)6-3-7-23/h2,4-5,8,23H,3,6-7,9H2,1H3,(H,21,25)(H2,18,19,20)