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

Systemtic Name: 4-[5-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-benzylsulfanyl-5-methyl-pyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylmethylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-benzylsulfanyl-5-methylpyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-(benzylthio)-5-methyl-pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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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)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-17-13-27-25(32-16-18-8-4-2-5-9-18)29-23(17)20-12-21(26-14-20)24(31)28-22(15-30)19-10-6-3-7-11-19/h2-14,22,26,30H,15-16H2,1H3,(H,28,31)/t22-/m1/s1