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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-4-(2-methylpropylsulfanyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-4-isobutylsulfanyl-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-4-(2-methylpropylthio)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-4-(2-methylpropylsulfanyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-(isobutylthio)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C23H22ClN3S MolecularWeight: 407.95888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3S/c1-15(2)13-28-23-21-19(17-7-5-4-6-8-17)12-27(22(21)25-14-26-23)18-10-9-16(3)20(24)11-18/h4-12,14-15H,13H2,1-3H3