6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

Systemtic Name: 6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-7-(6-bromo-4-keto-1H-quinazolin-2-yl)-5-(3,5-dimethylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C24H15BrN8O MolecularWeight: 511.3329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC(=O)C5=C(N4)C=CC(=C5)Br)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC(=O)C5=C(N4)C=CC(=C5)Br)N)C

InChI

InChI=1S/C24H15BrN8O/c1-11-5-12(2)7-14(6-11)33-21(28)19(20-23(33)31-18(10-27)17(9-26)29-20)22-30-16-4-3-13(25)8-15(16)24(34)32-22/h3-8H,28H2,1-2H3,(H,30,32,34)