2-azanylidene-3-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazole-4-thiol

Systemtic Name: 2-azanylidene-3-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazole-4-thiol Openeye Name: 3-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-imino-1,3-benzothiazole-4-thiol CAS Name: 2-imino-3-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-benzothiazole-4-thiol IUPAC Name: 3-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-imino-1,3-benzothiazole-4-thiol Traditional Name: 3-[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-imino-1,3-benzothiazole-4-thiol Formula: C19H14N6S3 MolecularWeight: 422.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N4C5=C(C=CC=C5S)SC4=N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N4C5=C(C=CC=C5S)SC4=N

InChI

InChI=1S/C19H14N6S3/c20-18-25(15-13(26)7-4-8-14(15)28-18)17-12-9-21-24-16(12)22-19(23-17)27-10-11-5-2-1-3-6-11/h1-9,20,26H,10H2,(H,21,22,23,24)