5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C11H19N4O4S+ MolecularWeight: 303.35796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H18N4O4S/c1-13-8-9(10(16)14(2)11(13)17)20(18,19)15-6-3-4-12-5-7-15/h8,12H,3-7H2,1-2H3/p+1