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

Systemtic Name: 7-(4-methoxyphenyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-methoxyphenyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-methoxyphenyl)-4-(pentylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-methoxyphenyl)-4-pentylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(amylthio)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H25N3OS MolecularWeight: 403.5398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c1-3-4-8-15-29-24-22-21(18-9-6-5-7-10-18)16-27(23(22)25-17-26-24)19-11-13-20(28-2)14-12-19/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3