6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-morpholin-4-ium-4-ylbutyl)-1H-pyrimidine-2,4-dione chloride

Systemtic Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-morpholin-4-ium-4-ylbutyl)-1H-pyrimidine-2,4-dione chloride Openeye Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-morpholin-4-ium-4-ylbutyl)-1H-pyrimidine-2,4-dione chloride CAS Name: 6-(3-ethyl-4-methylanilino)-3-[4-(4-morpholin-4-iumyl)butyl]-1H-pyrimidine-2,4-dione chloride IUPAC Name: 6-(3-ethyl-4-methylanilino)-3-(4-morpholin-4-ium-4-ylbutyl)-1H-pyrimidine-2,4-dione chloride Traditional Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-morpholin-4-ium-4-ylbutyl)uracil chloride Formula: C21H31ClN4O3 MolecularWeight: 422.94884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC[NH+]3CCOCC3)C.[Cl-]

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC[NH+]3CCOCC3)C.[Cl-]

InChI

InChI=1S/C21H30N4O3.ClH/c1-3-17-14-18(7-6-16(17)2)22-19-15-20(26)25(21(27)23-19)9-5-4-8-24-10-12-28-13-11-24;/h6-7,14-15,22H,3-5,8-13H2,1-2H3,(H,23,27);1H