2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]benzenecarbonitrile Openeye Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile CAS Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile IUPAC Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]benzonitrile Traditional Name: 2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)amino]benzonitrile Formula: C18H13N5 MolecularWeight: 299.32932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=CC=CC=C4C#N

InChI

InChI=1S/C18H13N5/c1-11-6-7-15-13(8-11)16-17(22-15)18(21-10-20-16)23-14-5-3-2-4-12(14)9-19/h2-8,10,22H,1H3,(H,20,21,23)