7-(3-chloranyl-4-methyl-phenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-4-(o-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-4-[(2-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-[(2-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H22ClN3S MolecularWeight: 456.00168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4C)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3SCC4=CC=CC=C4C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H22ClN3S/c1-18-8-6-7-11-21(18)16-32-27-25-23(20-9-4-3-5-10-20)15-31(26(25)29-17-30-27)22-13-12-19(2)24(28)14-22/h3-15,17H,16H2,1-2H3