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

Systemtic Name: 2-ethyl-5-[(2-methylphenyl)methylsulfanyl]-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-benzyl-2-ethyl-5-(o-tolylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[(2-methylphenyl)methylthio]-6-(phenylmethyl)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 6-benzyl-2-ethyl-5-[(2-methylphenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-benzyl-2-ethyl-5-[(2-methylbenzyl)thio]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=C3C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3C)CC4=CC=CC=C4

InChI

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