3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-25-20-16(13-23-25)21(28)26(14-22-20)12-11-19(27)24-17-9-5-6-10-18(17)29-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,24,27)