5-(5-chloranyl-2-methoxy-phenyl)-6-(2-dimethylaminoethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-6-(2-dimethylaminoethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-6-(2-dimethylaminoethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(5-chloro-2-methoxyphenyl)-6-(2-dimethylaminoethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-6-(2-dimethylaminoethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-6-(2-dimethylaminoethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(C=NN2)C(=O)N1C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN(C)CCSC1=NC2=C(C=NN2)C(=O)N1C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H18ClN5O2S/c1-21(2)6-7-25-16-19-14-11(9-18-20-14)15(23)22(16)12-8-10(17)4-5-13(12)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)