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

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(2-chlorophenyl)methylthio]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2-chlorobenzyl)thio]-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H22ClN3OS/c1-2-32-22-14-12-21(13-15-22)31-16-23(19-8-4-3-5-9-19)25-26(31)29-18-30-27(25)33-17-20-10-6-7-11-24(20)28/h3-16,18H,2,17H2,1H3