4-butan-2-ylsulfanyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-d]pyrimidine

Systemtic Name: 4-butan-2-ylsulfanyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-d]pyrimidine Openeye Name: 2,5-dimethyl-4-sec-butylsulfanyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-d]pyrimidine CAS Name: 4-(butan-2-ylthio)-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-d]pyrimidine IUPAC Name: 4-butan-2-ylsulfanyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-d]pyrimidine Traditional Name: 7-mesityl-2,5-dimethyl-4-(sec-butylthio)pyrrolo[3,2-d]pyrimidine Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC2=C1N(C=C2C3=C(C=C(C=C3C)C)C)C)C

Isomeric SMILES

CCC(C)SC1=NC(=NC2=C1N(C=C2C3=C(C=C(C=C3C)C)C)C)C

InChI

InChI=1S/C21H27N3S/c1-8-15(5)25-21-20-19(22-16(6)23-21)17(11-24(20)7)18-13(3)9-12(2)10-14(18)4/h9-11,15H,8H2,1-7H3