4-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C20H18BrN7O3 MolecularWeight: 484.30602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

InChI

InChI=1S/C20H18BrN7O3/c1-24-12-7-5-6-8-13(12)25(2)16(24)11(9-22)14(29)10-28-17-15(23-19(28)21)18(30)27(4)20(31)26(17)3/h5-8H,10H2,1-4H3