1-phenyl-4-(2-pyridin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-(2-pyridin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[2-(4-pyridyl)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-(2-pyridin-4-ylethylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-(2-pyridin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-[2-(4-pyridyl)ethylthio]pyrazolo[3,4-d]pyrimidine Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCC4=CC=NC=C4

InChI

InChI=1S/C18H15N5S/c1-2-4-15(5-3-1)23-17-16(12-22-23)18(21-13-20-17)24-11-8-14-6-9-19-10-7-14/h1-7,9-10,12-13H,8,11H2