6-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]uracil Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C17H20N4O3/c22-15-10-14(18-17(24)19-15)11-16(23)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,18,19,22,24)/p+1