ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H22N6O4/c1-5-26-14-8-7-12(19(28)30-6-2)9-13(14)22-15(26)10-25-11-21-17-16(25)18(27)24(4)20(29)23(17)3/h7-9,11H,5-6,10H2,1-4H3