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

Systemtic Name: 2-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C27H21N3OS MolecularWeight: 435.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3OS/c1-19-9-8-14-22(15-19)30-16-23(20-10-4-2-5-11-20)25-26(30)28-18-29-27(25)32-17-24(31)21-12-6-3-7-13-21/h2-16,18H,17H2,1H3