2-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C27H20ClN3OS MolecularWeight: 469.9852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H20ClN3OS/c1-18-12-13-21(14-23(18)28)31-15-22(19-8-4-2-5-9-19)25-26(31)29-17-30-27(25)33-16-24(32)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3