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

Systemtic Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 4-nitrooxybutyl carbonate Openeye Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 4-nitrooxybutyl carbonate CAS Name: carbonic acid 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]ethyl 4-nitrooxybutyl ester IUPAC Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl 4-nitrooxybutyl carbonate Traditional Name: carbonic acid 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxyethyl 4-nitrooxybutyl ester Formula: C32H36N6O11S MolecularWeight: 712.72684

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

InChI

InChI=1S/C32H36N6O11S/c1-32(2,3)22-12-14-23(15-13-22)50(42,43)37-27-26(49-25-11-6-5-10-24(25)44-4)30(36-29(35-27)28-33-16-9-17-34-28)45-20-21-47-31(39)46-18-7-8-19-48-38(40)41/h5-6,9-17H,7-8,18-21H2,1-4H3,(H,35,36,37)