tert-butyl 4-[6-[(6-methylsulfonylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(6-methylsulfonylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(6-methylsulfonyl-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-[(6-methylsulfonyl-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(6-methylsulfonylpyridin-3-yl)amino]-5-nitropyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(6-mesyl-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N6O7S MolecularWeight: 494.52144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N6O7S/c1-20(2,3)33-19(27)25-9-7-14(8-10-25)32-18-16(26(28)29)17(22-12-23-18)24-13-5-6-15(21-11-13)34(4,30)31/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,23,24)