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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-9-21-15(18)14(16(23)19-17(21)24)13(22)11-20(2)10-12-7-5-4-6-8-12/h4-8H,3,9-11,18H2,1-2H3,(H,19,23,24)/p+1