6-azanyl-1,3-dimethyl-5-[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetyl]pyrimidine-2,4-quinone Formula: C18H25N6O5S2+ MolecularWeight: 469.5583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C18H24N6O5S2/c1-21-6-8-24(9-7-21)31(28,29)12-4-5-14(20-10-12)30-11-13(25)15-16(19)22(2)18(27)23(3)17(15)26/h4-5,10H,6-9,11,19H2,1-3H3/p+1