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

Systemtic Name: 2,6-diethyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2,6-diethyl-5-(m-tolylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2,6-diethyl-5-[(3-methylphenyl)methylthio]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2,6-diethyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2,6-diethyl-5-[(3-methylbenzyl)thio]pyrazolo[4,3-d]pyrimidin-7-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-4-20-10-14-15(19-20)16(22)21(5-2)17(18-14)23-11-13-8-6-7-12(3)9-13/h6-10H,4-5,11H2,1-3H3