2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1,3-bis(4-methyl-1-piperazin-4-iumyl)propane-1,3-dione IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C18H30N6O3S+2 MolecularWeight: 410.5342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N6O3S/c1-13-12-14(25)20-18(19-13)28-15(16(26)23-8-4-21(2)5-9-23)17(27)24-10-6-22(3)7-11-24/h12,15H,4-11H2,1-3H3,(H,19,20,25)/p+2