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

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-2-ethyl-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-ethyl-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[(2,5-dimethylbenzyl)thio]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H26N4OS MolecularWeight: 418.55444

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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)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4OS/c1-4-27-15-21-22(26-27)23(29)28(13-12-19-8-6-5-7-9-19)24(25-21)30-16-20-14-17(2)10-11-18(20)3/h5-11,14-15H,4,12-13,16H2,1-3H3