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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(4-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(4-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-(4-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(4-methylpyridin-1-ium-1-yl)acetamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-3-4-12-27(19(29)16-26-13-10-17(2)11-14-26)20-21(24)28(23(31)25-22(20)30)15-18-8-6-5-7-9-18/h5-11,13-14H,3-4,12,15-16H2,1-2H3,(H2-,24,25,30,31)/p+1