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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-methylpyridin-1-ium-1-yl)-N-propyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(3-methylpyridin-1-ium-1-yl)-N-propyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(3-methyl-1-pyridin-1-iumyl)-N-propylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3-methylpyridin-1-ium-1-yl)-N-propylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(3-methylpyridin-1-ium-1-yl)-N-propyl-acetamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-3-11-26(18(28)15-25-12-7-8-16(2)13-25)19-20(23)27(22(30)24-21(19)29)14-17-9-5-4-6-10-17/h4-10,12-13H,3,11,14-15H2,1-2H3,(H2-,23,24,29,30)/p+1