6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

InChI

InChI=1S/C26H28N6O3S/c1-35-21-10-12-22(13-11-21)36(33,34)31-15-5-14-30(16-17-31)25-23-18-27-32(20-6-3-2-4-7-20)26(23)29-24(28-25)19-8-9-19/h2-4,6-7,10-13,18-19H,5,8-9,14-17H2,1H3