tert-butyl 4-[4-[5-azanyl-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-azanyl-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-amino-6-(3-pyridylcarbamoyl)pyrazin-2-yl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[5-amino-6-[oxo-(3-pyridinylamino)methyl]-2-pyrazinyl]phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[5-amino-6-(3-pyridylcarbamoyl)pyrazin-2-yl]phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C25H29N7O5S MolecularWeight: 539.60666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

InChI

InChI=1S/C25H29N7O5S/c1-25(2,3)37-24(34)31-11-13-32(14-12-31)38(35,36)19-8-6-17(7-9-19)20-16-28-22(26)21(30-20)23(33)29-18-5-4-10-27-15-18/h4-10,15-16H,11-14H2,1-3H3,(H2,26,28)(H,29,33)