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

Systemtic Name: 5-ethyl-2-[[4-(4-methoxyphenyl)carbonylphenyl]methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-ethyl-2-[[4-(4-methoxybenzoyl)phenyl]methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-ethyl-2-[[4-[(4-methoxyphenyl)-oxomethyl]phenyl]methyl]-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-ethyl-2-[[4-(4-methoxybenzoyl)phenyl]methyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-(methylthio)-2-(4-p-anisoylbenzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CN(N=C2N=C1SC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=O)C2=CN(N=C2N=C1SC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N4O3S/c1-4-27-22(29)19-14-26(25-21(19)24-23(27)31-3)13-15-5-7-16(8-6-15)20(28)17-9-11-18(30-2)12-10-17/h5-12,14H,4,13H2,1-3H3