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

Systemtic Name: 6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-(phenylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-5-benzyl-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(phenylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-5-benzyl-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-5-benzyl-7-(6-bromo-4-keto-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C23H13BrN8O MolecularWeight: 497.30632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC(=O)C5=C(N4)C=CC(=C5)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC(=O)C5=C(N4)C=CC(=C5)Br)N

InChI

InChI=1S/C23H13BrN8O/c24-13-6-7-15-14(8-13)23(33)31-21(29-15)18-19-22(30-17(10-26)16(9-25)28-19)32(20(18)27)11-12-4-2-1-3-5-12/h1-8H,11,27H2,(H,29,31,33)