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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-4-propan-2-ylsulfanyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-4-isopropylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-5-phenyl-4-(propan-2-ylthio)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-5-phenyl-4-propan-2-ylsulfanylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-(isopropylthio)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C22H20ClN3S MolecularWeight: 393.9323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3S/c1-14(2)27-22-20-18(16-7-5-4-6-8-16)12-26(21(20)24-13-25-22)17-10-9-15(3)19(23)11-17/h4-14H,1-3H3