6-nitrooxyhexyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate

Systemtic Name: 6-nitrooxyhexyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate Openeye Name: 6-nitrooxyhexyl 2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]acetate CAS Name: 2-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]acetic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]acetate Traditional Name: 2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]acetic acid 6-nitrooxyhexyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)OCCCCCCO[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)OCCCCCCO[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C24H28N6O5/c1-18-8-9-20(27-17-23(31)34-13-4-2-3-5-14-35-30(32)33)15-22(18)29-24-26-12-10-21(28-24)19-7-6-11-25-16-19/h6-12,15-16,27H,2-5,13-14,17H2,1H3,(H,26,28,29)