2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzenecarbonitrile Openeye Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile CAS Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile IUPAC Name: 2-[(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile Traditional Name: 2-[(9-methoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]benzonitrile Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)NC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)NC4=CC=CC=C4C#N

InChI

InChI=1S/C18H13N5O/c1-24-14-8-4-7-13-15(14)16-17(22-13)18(21-10-20-16)23-12-6-3-2-5-11(12)9-19/h2-8,10,22H,1H3,(H,20,21,23)