4-(2-methoxyethylsulfanyl)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(2-methoxyethylsulfanyl)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-(2-methoxyethylsulfanyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(2-methoxyethylthio)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-(2-methoxyethylsulfanyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-(2-methoxyethylthio)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=NC2=C1C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCCSC1=NC=NC2=C1C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3OS/c1-32-17-18-33-28-25-24(22-13-7-3-8-14-22)26(23-15-9-4-10-16-23)31(27(25)29-20-30-28)19-21-11-5-2-6-12-21/h2-16,20H,17-19H2,1H3