4,6-bis(methylsulfanyl)-3-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4,6-bis(methylsulfanyl)-3-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-benzyl-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 4,6-bis(methylthio)-3-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-benzyl-4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-benzyl-4,6-bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidine Formula: C14H14N4S2 MolecularWeight: 302.41776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=NNC(=C21)CC3=CC=CC=C3)SC

Isomeric SMILES

CSC1=NC(=NC2=NNC(=C21)CC3=CC=CC=C3)SC

InChI

InChI=1S/C14H14N4S2/c1-19-13-11-10(8-9-6-4-3-5-7-9)17-18-12(11)15-14(16-13)20-2/h3-7H,8H2,1-2H3,(H,15,16,17,18)