7-tert-butyl-5-methylsulfanyl-2-[(4-pyridin-4-yloxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

Systemtic Name: 7-tert-butyl-5-methylsulfanyl-2-[(4-pyridin-4-yloxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Openeye Name: 7-tert-butyl-5-methylsulfanyl-2-[4-(4-pyridyloxy)anilino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile CAS Name: 7-tert-butyl-5-(methylthio)-2-(4-pyridin-4-yloxyanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile IUPAC Name: 7-tert-butyl-5-methylsulfanyl-2-(4-pyridin-4-yloxyanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Traditional Name: 7-tert-butyl-5-(methylthio)-2-[4-(4-pyridyloxy)anilino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC2=C(C(=NN12)NC3=CC=C(C=C3)OC4=CC=NC=C4)C#N)SC)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=NC2=C(C(=NN12)NC3=CC=C(C=C3)OC4=CC=NC=C4)C#N)SC)C#N

InChI

InChI=1S/C24H21N7OS/c1-24(2,3)20-18(13-25)23(33-4)29-22-19(14-26)21(30-31(20)22)28-15-5-7-16(8-6-15)32-17-9-11-27-12-10-17/h5-12H,1-4H3,(H,28,30)