3-methyl-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-4-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C30H32N6O2S MolecularWeight: 540.67908

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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)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H32N6O2S/c1-3-10-27-31-29(28-22(2)33-36(30(28)32-27)25-13-5-4-6-14-25)34-17-9-18-35(20-19-34)39(37,38)26-16-15-23-11-7-8-12-24(23)21-26/h4-8,11-16,21H,3,9-10,17-20H2,1-2H3