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

Systemtic Name: 6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-(furan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(2-furylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(2-furanylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-5-(furan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-7-(6-bromo-4-keto-1H-quinazolin-2-yl)-5-(2-furfuryl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C21H11BrN8O2 MolecularWeight: 487.26844

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=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=COC(=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/C21H11BrN8O2/c22-10-3-4-13-12(6-10)21(31)29-19(27-13)16-17-20(28-15(8-24)14(7-23)26-17)30(18(16)25)9-11-2-1-5-32-11/h1-6H,9,25H2,(H,27,29,31)