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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C19H28N5O4+ MolecularWeight: 390.45672

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4/c1-4-5-9-23(15(26)12-22-8-6-7-14(25)11-22)16-17(20)24(10-13(2)3)19(28)21-18(16)27/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H3-,20,21,25,27,28)/p+1