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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C25H39N6O5S+ MolecularWeight: 535.67936

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H38N6O5S/c1-5-6-11-31-22(26)21(23(32)27-25(31)34)30(12-10-18(2)3)24(33)19-8-7-9-20(17-19)37(35,36)29-15-13-28(4)14-16-29/h7-9,17-18H,5-6,10-16,26H2,1-4H3,(H,27,32,34)/p+1