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

Systemtic Name: 4-heptan-3-yl-6-methyl-3-methylsulfanyl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1-ethylpentyl)-6-methyl-3-methylsulfanyl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-heptan-3-yl-6-methyl-3-(methylthio)-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-heptan-3-yl-6-methyl-3-methylsulfanyl-1-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1-ethylpentyl)-1-mesityl-6-methyl-3-(methylthio)pyrazolo[3,4-d]pyrimidine Formula: C23H32N4S MolecularWeight: 396.59198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4S/c1-8-10-11-18(9-2)20-19-22(25-17(6)24-20)27(26-23(19)28-7)21-15(4)12-14(3)13-16(21)5/h12-13,18H,8-11H2,1-7H3