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

Systemtic Name: 3-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-mesyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C21H28N6O2S MolecularWeight: 428.55102

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2S/c1-4-9-18-22-20(25-12-8-13-26(15-14-25)30(3,28)29)19-16(2)24-27(21(19)23-18)17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-15H2,1-3H3