4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC3=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC3=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC

InChI

InChI=1S/C20H16N6OS/c1-25-18-15(11-23-25)19(22-12-21-18)28-20-24-16-5-3-4-6-17(16)26(20)13-7-9-14(27-2)10-8-13/h3-12H,1-2H3