5-prop-2-ynylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-prop-2-ynylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-prop-2-ynylsulfanyl-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(prop-2-ynylthio)-7-(pyridin-4-ylmethylamino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-prop-2-ynylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-(propargylthio)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C16H12N6S MolecularWeight: 320.37168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=NN2C(=C1C#N)NCC3=CC=NC=C3

Isomeric SMILES

C#CCSC1=NC2=CC=NN2C(=C1C#N)NCC3=CC=NC=C3

InChI

InChI=1S/C16H12N6S/c1-2-9-23-16-13(10-17)15(22-14(21-16)5-8-20-22)19-11-12-3-6-18-7-4-12/h1,3-8,19H,9,11H2