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

Systemtic Name: 4-methylsulfanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-methylsulfanyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(methylthio)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-methylsulfanyl-5,6-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-(methylthio)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H21N3S MolecularWeight: 407.53004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC=NC2=C1C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3S/c1-30-26-23-22(20-13-7-3-8-14-20)24(21-15-9-4-10-16-21)29(25(23)27-18-28-26)17-19-11-5-2-6-12-19/h2-16,18H,17H2,1H3