2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione

Systemtic Name: 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Openeye Name: 2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione CAS Name: 2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1,3-bis(4-methyl-1-piperazin-4-iumyl)propane-1,3-dione IUPAC Name: 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Traditional Name: 2-[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C22H37N7O3S+2 MolecularWeight: 479.63928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C(=O)N2CC[NH+](CC2)C)C(=O)N3CC[NH+](CC3)C)N4CCOCC4

InChI

InChI=1S/C22H35N7O3S/c1-17-16-18(27-12-14-32-15-13-27)24-22(23-17)33-19(20(30)28-8-4-25(2)5-9-28)21(31)29-10-6-26(3)7-11-29/h16,19H,4-15H2,1-3H3/p+2