5-(3-chloranyl-4-methyl-phenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-4-methylphenyl)-6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H15ClN4O2S/c1-12-7-8-14(9-16(12)21)25-19(27)15-10-22-24-18(15)23-20(25)28-11-17(26)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,24)