7-(3,4-dichlorophenyl)-4-(2-methoxyethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(3,4-dichlorophenyl)-4-(2-methoxyethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3,4-dichlorophenyl)-4-(2-methoxyethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3,4-dichlorophenyl)-4-(2-methoxyethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3,4-dichlorophenyl)-4-(2-methoxyethylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3,4-dichlorophenyl)-4-(2-methoxyethylthio)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C21H17Cl2N3OS MolecularWeight: 430.35018

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

COCCSC1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17Cl2N3OS/c1-27-9-10-28-21-19-16(14-5-3-2-4-6-14)12-26(20(19)24-13-25-21)15-7-8-17(22)18(23)11-15/h2-8,11-13H,9-10H2,1H3