4-(4-methylphenyl)sulfanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-5,6-diphenyl-4-(p-tolylsulfanyl)pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-(4-methylphenyl)sulfanyl-5,6-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-5,6-diphenyl-4-(p-tolylthio)pyrrolo[2,3-d]pyrimidine Formula: C32H25N3S MolecularWeight: 483.626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H25N3S/c1-23-17-19-27(20-18-23)36-32-29-28(25-13-7-3-8-14-25)30(26-15-9-4-10-16-26)35(31(29)33-22-34-32)21-24-11-5-2-6-12-24/h2-20,22H,21H2,1H3