2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione

Systemtic Name: 2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Openeye Name: 2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione CAS Name: 2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thio]-1,3-bis(4-methyl-1-piperazin-4-iumyl)propane-1,3-dione IUPAC Name: 2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Traditional Name: 2-[[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl]thio]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C18H32N6O3S+2 MolecularWeight: 412.55008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H30N6O3S/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/h13,15H,4-12H2,1-3H3,(H,19,20,25)/p+2/t13-/m0/s1