18-(6-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-2-yl)octadecyl 2-azanylethanesulfonate

Systemtic Name: 18-(6-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-2-yl)octadecyl 2-azanylethanesulfonate Openeye Name: 18-(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)octadecyl 2-aminoethanesulfonate CAS Name: 2-aminoethanesulfonic acid 18-(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)octadecyl ester IUPAC Name: 18-(6-amino-5-nitroso-4-oxo-1H-pyrimidin-2-yl)octadecyl 2-aminoethanesulfonate Traditional Name: 2-aminoethanesulfonic acid 18-(6-amino-4-keto-5-nitroso-1H-pyrimidin-2-yl)octadecyl ester Formula: C24H45N5O5S MolecularWeight: 515.7096

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCOS(=O)(=O)CCN)CCCCCCCCC1=NC(=O)C(=C(N1)N)N=O

Isomeric SMILES

C(CCCCCCCCCOS(=O)(=O)CCN)CCCCCCCCC1=NC(=O)C(=C(N1)N)N=O

InChI

InChI=1S/C24H45N5O5S/c25-18-20-35(32,33)34-19-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-27-23(26)22(29-31)24(30)28-21/h1-20,25H2,(H3,26,27,28,30)