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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C23H31N6O4+ MolecularWeight: 455.53004

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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)C(=O)C4CC4

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H30N6O4/c1-2-28(18(30)15-26-10-12-27(13-11-26)22(32)17-8-9-17)19-20(24)29(23(33)25-21(19)31)14-16-6-4-3-5-7-16/h3-7,17H,2,8-15,24H2,1H3,(H,25,31,33)/p+1