6-azanyl-1,3-dimethyl-5-[2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C14H24N5O5S+ MolecularWeight: 374.43586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)N

InChI

InChI=1S/C14H23N5O5S/c1-16-12(15)11(13(21)17(2)14(16)22)10(20)9-18-5-4-6-19(8-7-18)25(3,23)24/h4-9,15H2,1-3H3/p+1