2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N6O6/c1-5-24(6-2)15-8-7-13(26(30)31)11-14(15)19(28)32-10-9-25-12-21-17-16(25)18(27)23(4)20(29)22(17)3/h7-8,11-12H,5-6,9-10H2,1-4H3