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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

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