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

Systemtic Name: 5-phenylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-phenylsulfanyl-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(phenylthio)-7-(pyridin-4-ylmethylamino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-phenylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-(phenylthio)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C19H14N6S MolecularWeight: 358.41966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC3=CC=NN3C(=C2C#N)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC3=CC=NN3C(=C2C#N)NCC4=CC=NC=C4

InChI

InChI=1S/C19H14N6S/c20-12-16-18(22-13-14-6-9-21-10-7-14)25-17(8-11-23-25)24-19(16)26-15-4-2-1-3-5-15/h1-11,22H,13H2