2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-benzylsulfanyl-2-ethyl-6-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(phenylmethylthio)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-benzylsulfanyl-2-ethyl-6-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(benzylthio)-2-ethyl-6-p-anisyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-3-25-14-19-20(24-25)21(27)26(13-16-9-11-18(28-2)12-10-16)22(23-19)29-15-17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3