[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC)CC2=CC=CC=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC)CC2=CC=CC=C2)N

InChI

InChI=1S/C18H24N4O3/c1-3-10-22-16(19)15(17(24)20-18(22)25)14(23)12-21(4-2)11-13-8-6-5-7-9-13/h5-9H,3-4,10-12,19H2,1-2H3,(H,20,24,25)/p+1