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

Systemtic Name: 3-[[5-[[6-azanyl-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-[[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile CAS Name: 3-[[5-[[6-amino-5-[(E)-methoxyiminomethyl]-4-pyrimidinyl]amino]-1-indazolyl]methyl]benzonitrile IUPAC Name: 3-[[5-[[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile Traditional Name: 3-[[5-[[6-amino-5-[(E)-methyloximinomethyl]pyrimidin-4-yl]amino]indazol-1-yl]methyl]benzonitrile Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N8O/c1-30-27-11-18-20(23)24-13-25-21(18)28-17-5-6-19-16(8-17)10-26-29(19)12-15-4-2-3-14(7-15)9-22/h2-8,10-11,13H,12H2,1H3,(H3,23,24,25,28)/b27-11+