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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C22H25N5O4/c1-2-3-12-26(18(29)15-25-11-7-10-17(28)14-25)19-20(23)27(22(31)24-21(19)30)13-16-8-5-4-6-9-16/h4-11,14H,2-3,12-13,15H2,1H3,(H3-,23,24,28,30,31)/p+1