2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(diethylamino)-4-oxidanylidene-butanoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(diethylamino)-4-oxidanylidene-butanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-(diethylamino)-4-oxo-butanoate CAS Name: 4-(diethylamino)-4-oxobutanoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate Traditional Name: 4-(diethylamino)-4-keto-butyric acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCC(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=O)CCC(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H25N5O5/c1-5-21(6-2)12(23)7-8-13(24)27-10-9-22-11-18-15-14(22)16(25)20(4)17(26)19(15)3/h11H,5-10H2,1-4H3