2-[4-[5-cyano-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[5-cyano-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(5-cyano-2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H25N6O3+ MolecularWeight: 349.4081

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(C(=O)N2C)C)C#N

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(C(=O)N2C)C)C#N

InChI

InChI=1S/C16H24N6O3/c1-4-5-18-13(23)11-21-6-8-22(9-7-21)14-12(10-17)15(24)20(3)16(25)19(14)2/h4-9,11H2,1-3H3,(H,18,23)/p+1