sodium [[1-cyclohexyl-3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]methanesulfonate

Systemtic Name: sodium [[1-cyclohexyl-3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]methanesulfonate Openeye Name: sodium [(1-cyclohexyl-3,4-dimethyl-2,6-dioxo-pyrimidin-5-yl)-methyl-amino]methanesulfonate CAS Name: sodium [(1-cyclohexyl-3,4-dimethyl-2,6-dioxo-5-pyrimidinyl)-methylamino]methanesulfonate IUPAC Name: sodium [(1-cyclohexyl-3,4-dimethyl-2,6-dioxopyrimidin-5-yl)-methylamino]methanesulfonate Traditional Name: sodium [(1-cyclohexyl-2,6-diketo-3,4-dimethyl-pyrimidin-5-yl)-methyl-amino]methanesulfonate Formula: C14H22N3NaO5S MolecularWeight: 367.39635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C2CCCCC2)N(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C2CCCCC2)N(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H23N3O5S.Na/c1-10-12(15(2)9-23(20,21)22)13(18)17(14(19)16(10)3)11-7-5-4-6-8-11;/h11H,4-9H2,1-3H3,(H,20,21,22);/q;+1/p-1