2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 5-nitrooxypentanoate

Systemtic Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 5-nitrooxypentanoate Openeye Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 5-nitrooxypentanoate CAS Name: 5-nitrooxypentanoic acid 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]ethyl ester IUPAC Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl 5-nitrooxypentanoate Traditional Name: 5-nitrooxyvaleric acid 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxyethyl ester Formula: C32H36N6O10S MolecularWeight: 696.72744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCOC(=O)CCCCO[N+](=O)[O-])OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCOC(=O)CCCCO[N+](=O)[O-])OC4=CC=CC=C4OC

InChI

InChI=1S/C32H36N6O10S/c1-32(2,3)22-13-15-23(16-14-22)49(42,43)37-28-27(48-25-11-6-5-10-24(25)44-4)31(36-30(35-28)29-33-17-9-18-34-29)46-21-20-45-26(39)12-7-8-19-47-38(40)41/h5-6,9-11,13-18H,7-8,12,19-21H2,1-4H3,(H,35,36,37)