2-ethyl-6-phenethyl-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 2-ethyl-6-phenethyl-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-benzylsulfanyl-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-6-phenethyl-5-(phenylmethylthio)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-benzylsulfanyl-2-ethyl-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(benzylthio)-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-2-25-15-19-20(24-25)21(27)26(14-13-17-9-5-3-6-10-17)22(23-19)28-16-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3