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

Systemtic Name: 7-(3-methylphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(m-tolyl)-4-(o-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-[(2-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(2-methylbenzyl)thio]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H23N3S MolecularWeight: 421.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3S/c1-19-9-8-14-23(15-19)30-16-24(21-11-4-3-5-12-21)25-26(30)28-18-29-27(25)31-17-22-13-7-6-10-20(22)2/h3-16,18H,17H2,1-2H3