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

Systemtic Name: 7-(3-methylphenyl)-4-(2-methylpropylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-isobutylsulfanyl-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-(2-methylpropylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(isobutylthio)-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:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SCC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3S/c1-16(2)14-27-23-21-20(18-9-5-4-6-10-18)13-26(22(21)24-15-25-23)19-11-7-8-17(3)12-19/h4-13,15-16H,14H2,1-3H3