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

Systemtic Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: 5,6-dimethyl-N-[[4-(methylthio)phenyl]methyl]-7-phenyl-4-(1-pyrrolidinyl)-2-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: 5,6-dimethyl-N-[4-(methylthio)benzyl]-7-phenyl-4-pyrrolidino-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C27H29N5OS MolecularWeight: 471.61706

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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)N4CCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=CC=C(C=C3)SC)N4CCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H29N5OS/c1-18-19(2)32(21-9-5-4-6-10-21)26-23(18)25(31-15-7-8-16-31)29-24(30-26)27(33)28-17-20-11-13-22(34-3)14-12-20/h4-6,9-14H,7-8,15-17H2,1-3H3,(H,28,33)