ethyl 4-[2-butyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzoate

Systemtic Name: ethyl 4-[2-butyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzoate Openeye Name: ethyl 4-(2-butyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-6-yl)benzoate CAS Name: 4-(2-butyl-4,7-dimethyl-1,3-dioxo-6-purino[7,8-a]imidazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-butyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzoate Traditional Name: 4-(2-butyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-6-yl)benzoic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)C(=O)OCC)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=C(C=C4)C(=O)OCC)C)N(C1=O)C

InChI

InChI=1S/C22H25N5O4/c1-5-7-12-25-19(28)17-18(24(4)22(25)30)23-21-26(17)13-14(3)27(21)16-10-8-15(9-11-16)20(29)31-6-2/h8-11,13H,5-7,12H2,1-4H3