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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-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(CCCC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H36N6O5S/c1-4-6-11-29(20-21(25)30(12-7-5-2)24(33)26-22(20)31)23(32)18-9-8-10-19(17-18)36(34,35)28-15-13-27(3)14-16-28/h8-10,17H,4-7,11-16,25H2,1-3H3,(H,26,31,33)/p+1