3-[(4-methylsulfinylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide

Systemtic Name: 3-[(4-methylsulfinylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide Openeye Name: 3-[(4-methylsulfinylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)isoindoline-5-carboxamide CAS Name: 3-[(4-methylsulfinylphenyl)methyl]-N-(5-pyrimidinylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide IUPAC Name: 3-[(4-methylsulfinylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide Traditional Name: 3-(4-methylsulfinylbenzyl)-N-(5-pyrimidylmethyl)isoindoline-5-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)CC2C3=C(CN2)C=CC(=C3)C(=O)NCC4=CN=CN=C4

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)CC2C3=C(CN2)C=CC(=C3)C(=O)NCC4=CN=CN=C4

InChI

InChI=1S/C22H22N4O2S/c1-29(28)19-6-2-15(3-7-19)8-21-20-9-17(4-5-18(20)13-25-21)22(27)26-12-16-10-23-14-24-11-16/h2-7,9-11,14,21,25H,8,12-13H2,1H3,(H,26,27)