4-[(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile CAS Name: 4-[(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)methyl]benzonitrile Traditional Name: 4-[(8-bromo-4-keto-5H-pyrimid[5,4-b]indol-3-yl)methyl]benzonitrile Formula: C18H11BrN4O MolecularWeight: 379.21014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)C#N

InChI

InChI=1S/C18H11BrN4O/c19-13-5-6-15-14(7-13)16-17(22-15)18(24)23(10-21-16)9-12-3-1-11(8-20)2-4-12/h1-7,10,22H,9H2