3-(2-methoxyphenyl)-6-methylsulfanyl-N-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(2-methoxyphenyl)-6-methylsulfanyl-N-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-3-(2-methoxyphenyl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(2-methoxyphenyl)-6-(methylthio)-N-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-benzyl-3-(2-methoxyphenyl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[3-(2-methoxyphenyl)-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C3C(=NN2)N=C(N=C3NCC4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=CC=C1C2=C3C(=NN2)N=C(N=C3NCC4=CC=CC=C4)SC

InChI

InChI=1S/C20H19N5OS/c1-26-15-11-7-6-10-14(15)17-16-18(21-12-13-8-4-3-5-9-13)22-20(27-2)23-19(16)25-24-17/h3-11H,12H2,1-2H3,(H2,21,22,23,24,25)