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

Systemtic Name: 4-butylsulfanyl-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-butylsulfanyl-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(butylthio)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-butylsulfanyl-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(butylthio)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3OS/c1-3-4-14-28-23-21-20(17-8-6-5-7-9-17)15-26(22(21)24-16-25-23)18-10-12-19(27-2)13-11-18/h5-13,15-16H,3-4,14H2,1-2H3