3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O6/c1-15-7-10-27(11-8-15)17-6-5-16(13-18(17)29(33)34)22(31)35-12-4-9-28-21(30)19-20(24-14-25(19)2)26(3)23(28)32/h5-6,13-15H,4,7-12H2,1-3H3