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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C25H31N6O3+ MolecularWeight: 463.55204

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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)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O3/c1-2-30(21(32)18-28-13-15-29(16-14-28)20-11-7-4-8-12-20)22-23(26)31(25(34)27-24(22)33)17-19-9-5-3-6-10-19/h3-12H,2,13-18,26H2,1H3,(H,27,33,34)/p+1