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

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethyl-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-benzyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-2-ethyl-6-(phenylmethyl)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 6-benzyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-benzyl-5-[(2,5-dimethylbenzyl)thio]-2-ethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS/c1-4-26-14-20-21(25-26)22(28)27(13-18-8-6-5-7-9-18)23(24-20)29-15-19-12-16(2)10-11-17(19)3/h5-12,14H,4,13,15H2,1-3H3