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

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C25H30N5O3+ MolecularWeight: 448.5374

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-2-29-24(32)22(23(26)30(25(29)33)17-19-9-5-3-6-10-19)21(31)18-27-13-15-28(16-14-27)20-11-7-4-8-12-20/h3-12H,2,13-18,26H2,1H3/p+1