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

Systemtic Name: 2-ethyl-6-[(4-methylphenyl)methyl]-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-benzylsulfanyl-2-ethyl-6-(p-tolylmethyl)pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-6-[(4-methylphenyl)methyl]-5-(phenylmethylthio)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-benzylsulfanyl-2-ethyl-6-[(4-methylphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(benzylthio)-2-ethyl-6-(4-methylbenzyl)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)CC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4OS/c1-3-25-14-19-20(24-25)21(27)26(13-17-11-9-16(2)10-12-17)22(23-19)28-15-18-7-5-4-6-8-18/h4-12,14H,3,13,15H2,1-2H3