2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-(morpholin-4-ylmethyl)benzoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-(morpholin-4-ylmethyl)benzoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-(morpholinomethyl)benzoate CAS Name: 4-(4-morpholinylmethyl)benzoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-(morpholin-4-ylmethyl)benzoate Traditional Name: 4-(morpholinomethyl)benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C(=O)OCCOCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)OCCOCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C20H24N6O5/c21-20-23-17-16(18(27)24-20)22-12-26(17)13-30-9-10-31-19(28)15-3-1-14(2-4-15)11-25-5-7-29-8-6-25/h1-4,12H,5-11,13H2,(H3,21,23,24,27)