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

Systemtic Name: 4-(5-methyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-(2-isopropylsulfanyl-5-methyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[2-(isopropylthio)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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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)SC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-13(2)28-21-23-10-14(3)19(25-21)16-9-17(22-11-16)20(27)24-18(12-26)15-7-5-4-6-8-15/h4-11,13,18,22,26H,12H2,1-3H3,(H,24,27)/t18-/m1/s1