N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C19H35N6O5S+ MolecularWeight: 459.5834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C19H34N6O5S/c1-4-6-11-24(16-17(20)25(8-5-2)19(28)21-18(16)27)15(26)14-22-9-7-10-23(13-12-22)31(3,29)30/h4-14,20H2,1-3H3,(H,21,27,28)/p+1