4-(oxan-2-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(oxan-2-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-(tetrahydropyran-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(2-oxanylmethylthio)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(oxan-2-ylmethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(tetrahydropyran-2-ylmethylthio)pyrazolo[3,4-d]pyrimidine Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H18N4OS/c1-2-6-13(7-3-1)21-16-15(10-20-21)17(19-12-18-16)23-11-14-8-4-5-9-22-14/h1-3,6-7,10,12,14H,4-5,8-9,11H2