6-azanyl-1,3-dimethyl-5-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C17H22N5O4S+ MolecularWeight: 392.45268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)N

InChI

InChI=1S/C17H21N5O4S/c1-19-14(18)13(16(25)20(2)17(19)26)11(23)10-21-5-7-22(8-6-21)15(24)12-4-3-9-27-12/h3-4,9H,5-8,10,18H2,1-2H3/p+1