1-[1-methyl-5-(4-methylsulfanylphenyl)-4-oxidanylidene-6-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl]urea

Systemtic Name: 1-[1-methyl-5-(4-methylsulfanylphenyl)-4-oxidanylidene-6-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl]urea Openeye Name: [1-methyl-5-(4-methylsulfanylphenyl)-4-oxo-6-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl]urea CAS Name: [1-methyl-5-[4-(methylthio)phenyl]-4-oxo-6-phenyl-3-pyrazolo[3,4-d]pyrimidinyl]urea IUPAC Name: [1-methyl-5-(4-methylsulfanylphenyl)-4-oxo-6-phenylpyrazolo[3,4-d]pyrimidin-3-yl]urea Traditional Name: [4-keto-1-methyl-5-[4-(methylthio)phenyl]-6-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl]urea Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)NC(=O)N)C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C2=C(C(=N1)NC(=O)N)C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C20H18N6O2S/c1-25-18-15(16(24-25)22-20(21)28)19(27)26(13-8-10-14(29-2)11-9-13)17(23-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H3,21,22,24,28)