5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-(1-piperidyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: 5,6-dimethyl-N-[[4-(methylthio)phenyl]methyl]-7-phenyl-4-(1-piperidinyl)-2-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: 5,6-dimethyl-N-[4-(methylthio)benzyl]-7-phenyl-4-piperidino-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=CC=C(C=C3)SC)N4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=CC=C(C=C3)SC)N4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H31N5OS/c1-19-20(2)33(22-10-6-4-7-11-22)27-24(19)26(32-16-8-5-9-17-32)30-25(31-27)28(34)29-18-21-12-14-23(35-3)15-13-21/h4,6-7,10-15H,5,8-9,16-18H2,1-3H3,(H,29,34)