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

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C26H32N5O3+ MolecularWeight: 462.56398

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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)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-2-30-25(33)23(24(27)31(26(30)34)18-21-11-7-4-8-12-21)22(32)19-29-15-13-28(14-16-29)17-20-9-5-3-6-10-20/h3-12H,2,13-19,27H2,1H3/p+1