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

Systemtic Name: 7-(4-methoxyphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-methoxyphenyl)-4-(o-tolylmethylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-methoxyphenyl)-4-[(2-methylphenyl)methylthio]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-methoxyphenyl)-4-[(2-methylphenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-methoxyphenyl)-4-[(2-methylbenzyl)thio]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3OS/c1-19-8-6-7-11-21(19)17-32-27-25-24(20-9-4-3-5-10-20)16-30(26(25)28-18-29-27)22-12-14-23(31-2)15-13-22/h3-16,18H,17H2,1-2H3