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

Systemtic Name: 6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-7-(6-bromo-4-keto-1H-quinazolin-2-yl)-5-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C20H16BrN9O MolecularWeight: 478.30474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)N

Isomeric SMILES

CN(C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)N

InChI

InChI=1S/C20H16BrN9O/c1-29(2)5-6-30-17(24)15(16-19(30)27-14(9-23)13(8-22)25-16)18-26-12-4-3-10(21)7-11(12)20(31)28-18/h3-4,7H,5-6,24H2,1-2H3,(H,26,28,31)