3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-1-phenyl-6-propyl-4-[4-[(E)-styryl]sulfonyl-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-1-phenyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-1-phenyl-6-propyl-4-[4-[(E)-styryl]sulfonyl-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Formula: C28H32N6O2S MolecularWeight: 516.65768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2S/c1-3-11-25-29-27(26-22(2)31-34(28(26)30-25)24-14-8-5-9-15-24)32-17-10-18-33(20-19-32)37(35,36)21-16-23-12-6-4-7-13-23/h4-9,12-16,21H,3,10-11,17-20H2,1-2H3/b21-16+