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

Systemtic Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-1-phenyl-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C27H32N6O2S MolecularWeight: 504.64698

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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)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O2S/c1-3-11-24-28-26(25-21(2)30-33(27(25)29-24)23-14-8-5-9-15-23)31-16-10-17-32(19-18-31)36(34,35)20-22-12-6-4-7-13-22/h4-9,12-15H,3,10-11,16-20H2,1-2H3