3,5-bis(tert-butylsulfanyl)-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 3,5-bis(tert-butylsulfanyl)-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 3,5-bis(tert-butylsulfanyl)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 3,5-bis(tert-butylthio)-7-(pyridin-4-ylmethylamino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 3,5-bis(tert-butylsulfanyl)-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 3,5-bis(tert-butylthio)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C21H26N6S2 MolecularWeight: 426.60134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C2N=C(C(=C(N2N=C1)NCC3=CC=NC=C3)C#N)SC(C)(C)C

Isomeric SMILES

CC(C)(C)SC1=C2N=C(C(=C(N2N=C1)NCC3=CC=NC=C3)C#N)SC(C)(C)C

InChI

InChI=1S/C21H26N6S2/c1-20(2,3)28-16-13-25-27-17(24-12-14-7-9-23-10-8-14)15(11-22)19(26-18(16)27)29-21(4,5)6/h7-10,13,24H,12H2,1-6H3