3-(4-ethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-ethylphenyl)-2-(o-tolylmethylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 3-(4-ethylphenyl)-2-[(2-methylphenyl)methylthio]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-ethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[(2-methylbenzyl)thio]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NC=C3C4=CC=CC=C4)N=C2SCC5=CC=CC=C5C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NC=C3C4=CC=CC=C4)N=C2SCC5=CC=CC=C5C

InChI

InChI=1S/C28H25N3OS/c1-3-20-13-15-23(16-14-20)31-27(32)25-24(21-10-5-4-6-11-21)17-29-26(25)30-28(31)33-18-22-12-8-7-9-19(22)2/h4-17,29H,3,18H2,1-2H3