3-[[5-[[6-azanyl-5-[(E)-ethoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[[6-azanyl-5-[(E)-ethoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-[[6-amino-5-[(E)-ethoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile CAS Name: 3-[[5-[[6-amino-5-[(E)-ethoxyiminomethyl]-4-pyrimidinyl]amino]-1-indazolyl]methyl]benzonitrile IUPAC Name: 3-[[5-[[6-amino-5-[(E)-ethoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile Traditional Name: 3-[[5-[[6-amino-5-[(E)-ethyloximinomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile Formula: C22H20N8O MolecularWeight: 412.4472

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Descriptors Computed from Structure

Canonical SMILES:

CCON=CC1=C(N=CN=C1NC2=CC3=C(C=C2)N(N=C3)CC4=CC=CC(=C4)C#N)N

Isomeric SMILES

CCO/N=C/C1=C(N=CN=C1NC2=CC3=C(C=C2)N(N=C3)CC4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C22H20N8O/c1-2-31-28-12-19-21(24)25-14-26-22(19)29-18-6-7-20-17(9-18)11-27-30(20)13-16-5-3-4-15(8-16)10-23/h3-9,11-12,14H,2,13H2,1H3,(H3,24,25,26,29)/b28-12+