4-(5-methyl-2-phenylsulfanyl-pyrimidin-4-yl)-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(5-methyl-2-phenylsulfanyl-pyrimidin-4-yl)-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-(5-methyl-2-phenylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[5-methyl-2-(phenylthio)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-16-13-26-24(31-19-10-6-3-7-11-19)28-22(16)18-12-20(25-14-18)23(30)27-21(15-29)17-8-4-2-5-9-17/h2-14,21,25,29H,15H2,1H3,(H,27,30)/t21-/m1/s1