N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butylacetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylacetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C[N+]2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C[N+]2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C21H29N5O4/c1-5-6-10-25(17(28)13-24-9-7-8-16(12-24)15(4)27)18-19(22)26(11-14(2)3)21(30)23-20(18)29/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H2-,22,23,29,30)/p+1