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

Systemtic Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 6-nitrooxyhexyl carbonate Openeye Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 6-nitrooxyhexyl carbonate CAS Name: carbonic acid 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]ethyl 6-nitrooxyhexyl ester IUPAC Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl 6-nitrooxyhexyl carbonate Traditional Name: carbonic acid 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxyethyl 6-nitrooxyhexyl ester Formula: C34H40N6O11S MolecularWeight: 740.78

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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)OCCCCCCO[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)OCCCCCCO[N+](=O)[O-])OC4=CC=CC=C4OC

InChI

InChI=1S/C34H40N6O11S/c1-34(2,3)24-14-16-25(17-15-24)52(44,45)39-29-28(51-27-13-8-7-12-26(27)46-4)32(38-31(37-29)30-35-18-11-19-36-30)47-22-23-49-33(41)48-20-9-5-6-10-21-50-40(42)43/h7-8,11-19H,5-6,9-10,20-23H2,1-4H3,(H,37,38,39)