6-methyl-3-methylsulfanyl-4-pentan-3-yl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-methyl-3-methylsulfanyl-4-pentan-3-yl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1-ethylpropyl)-6-methyl-3-methylsulfanyl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-methyl-3-(methylthio)-4-pentan-3-yl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-methyl-3-methylsulfanyl-4-pentan-3-yl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1-ethylpropyl)-1-mesityl-6-methyl-3-(methylthio)pyrazolo[3,4-d]pyrimidine Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2C(=NC(=N1)C)N(N=C2SC)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC(CC)C1=C2C(=NC(=N1)C)N(N=C2SC)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H28N4S/c1-8-16(9-2)18-17-20(23-15(6)22-18)25(24-21(17)26-7)19-13(4)10-12(3)11-14(19)5/h10-11,16H,8-9H2,1-7H3