N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethylacetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylacetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-acetamide Formula: C21H29N6O4+ MolecularWeight: 429.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H28N6O4/c1-3-26(17(29)14-24-9-11-25(12-10-24)15(2)28)18-19(22)27(21(31)23-20(18)30)13-16-7-5-4-6-8-16/h4-8H,3,9-14,22H2,1-2H3,(H,23,30,31)/p+1