2-[(6-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-2-yl)-octadecyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(6-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-2-yl)-octadecyl-amino]ethanesulfonic acid Openeye Name: 2-[(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)-octadecyl-amino]ethanesulfonic acid CAS Name: 2-[(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)-octadecylamino]ethanesulfonic acid IUPAC Name: 2-[(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)-octadecylamino]ethanesulfonic acid Traditional Name: 2-[(6-amino-4-keto-5-nitroso-1H-pyrimidin-2-yl)-stearyl-amino]ethanesulfonic acid Formula: C24H45N5O5S MolecularWeight: 515.7096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCS(=O)(=O)O)C1=NC(=O)C(=C(N1)N)N=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCS(=O)(=O)O)C1=NC(=O)C(=C(N1)N)N=O

InChI

InChI=1S/C24H45N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(19-20-35(32,33)34)24-26-22(25)21(28-31)23(30)27-24/h2-20H2,1H3,(H,32,33,34)(H3,25,26,27,30)