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

Systemtic Name: 7-(2-methoxyphenyl)-4-(2-methylpropylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-isobutylsulfanyl-7-(2-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(2-methoxyphenyl)-4-(2-methylpropylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(2-methoxyphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(isobutylthio)-7-(2-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=NC2=C1C(=CN2C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=NC=NC2=C1C(=CN2C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS/c1-16(2)14-28-23-21-18(17-9-5-4-6-10-17)13-26(22(21)24-15-25-23)19-11-7-8-12-20(19)27-3/h4-13,15-16H,14H2,1-3H3