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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3S/c1-3-4-12-28-23-21-19(17-8-6-5-7-9-17)14-27(22(21)25-15-26-23)18-11-10-16(2)20(24)13-18/h5-11,13-15H,3-4,12H2,1-2H3