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

Systemtic Name: 7-(3-methylphenyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(m-tolyl)-4-pentylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-(pentylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-pentylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(amylthio)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3S/c1-3-4-8-14-28-24-22-21(19-11-6-5-7-12-19)16-27(23(22)25-17-26-24)20-13-9-10-18(2)15-20/h5-7,9-13,15-17H,3-4,8,14H2,1-2H3