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

Systemtic Name: 7-(3-methylphenyl)-5-phenyl-4-propan-2-ylsulfanyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-isopropylsulfanyl-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-5-phenyl-4-(propan-2-ylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-5-phenyl-4-propan-2-ylsulfanylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(isopropylthio)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3SC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3S/c1-15(2)26-22-20-19(17-9-5-4-6-10-17)13-25(21(20)23-14-24-22)18-11-7-8-16(3)12-18/h4-15H,1-3H3