6-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]-7H-purine

Systemtic Name: 6-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]-7H-purine Openeye Name: 6-[4-(4-pyrimidin-5-ylphenyl)sulfonyl-1-piperidyl]-7H-purine CAS Name: 6-[4-[4-(5-pyrimidinyl)phenyl]sulfonyl-1-piperidinyl]-7H-purine IUPAC Name: 6-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]-7H-purine Traditional Name: 6-[4-[4-(5-pyrimidyl)phenyl]sulfonylpiperidino]-7H-purine Formula: C20H19N7O2S MolecularWeight: 421.47556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H19N7O2S/c28-30(29,16-3-1-14(2-4-16)15-9-21-11-22-10-15)17-5-7-27(8-6-17)20-18-19(24-12-23-18)25-13-26-20/h1-4,9-13,17H,5-8H2,(H,23,24,25,26)