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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-methylpropyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H37N6O5S+ MolecularWeight: 521.65278

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H36N6O5S/c1-5-6-10-29-21(25)20(22(31)26-24(29)33)30(16-17(2)3)23(32)18-8-7-9-19(15-18)36(34,35)28-13-11-27(4)12-14-28/h7-9,15,17H,5-6,10-14,16,25H2,1-4H3,(H,26,31,33)/p+1