N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H35N6O6S+ MolecularWeight: 523.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C23H34N6O6S/c1-4-5-9-29-20(24)19(21(30)25-23(29)32)28(14-15-35-3)22(31)17-7-6-8-18(16-17)36(33,34)27-12-10-26(2)11-13-27/h6-8,16H,4-5,9-15,24H2,1-3H3,(H,25,30,32)/p+1