4-butylsulfanyl-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-butylsulfanyl-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-butylsulfanyl-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(butylthio)-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-butylsulfanyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(butylthio)-7-(4-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C22H20ClN3S MolecularWeight: 393.9323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3S/c1-2-3-13-27-22-20-19(16-7-5-4-6-8-16)14-26(21(20)24-15-25-22)18-11-9-17(23)10-12-18/h4-12,14-15H,2-3,13H2,1H3