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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H33N6O5S+ MolecularWeight: 493.59962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O5S/c1-4-6-10-28-19(23)18(20(29)24-22(28)31)27(5-2)21(30)16-8-7-9-17(15-16)34(32,33)26-13-11-25(3)12-14-26/h7-9,15H,4-6,10-14,23H2,1-3H3,(H,24,29,31)/p+1