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

Systemtic Name: 2-ethyl-5-[(3-methylphenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-5-(m-tolylmethylsulfanyl)-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[(3-methylphenyl)methylthio]-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-5-[(3-methylphenyl)methylsulfanyl]-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(3-methylbenzyl)thio]-6-phenethyl-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=CC=CC(=C3)C)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS/c1-3-26-15-20-21(25-26)22(28)27(13-12-18-9-5-4-6-10-18)23(24-20)29-16-19-11-7-8-17(2)14-19/h4-11,14-15H,3,12-13,16H2,1-2H3