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

Systemtic Name: 4-butylsulfanyl-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-butylsulfanyl-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(butylthio)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-butylsulfanyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(butylthio)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=NC2=C1C(=CN2C3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC=NC2=C1C(=CN2C3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3S/c1-3-4-13-27-23-21-20(18-10-6-5-7-11-18)15-26(22(21)24-16-25-23)19-12-8-9-17(2)14-19/h5-12,14-16H,3-4,13H2,1-2H3