6-azanyl-5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 5-[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]-6-amino-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-6-amino-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H27N5O4/c1-3-25-20(29)18(17(28)14-23-9-11-24(12-10-23)15(2)27)19(22)26(21(25)30)13-16-7-5-4-6-8-16/h4-8H,3,9-14,22H2,1-2H3/p+1