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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-benzhydryl-ammonium CAS Name: [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzhydrylazanium Traditional Name: [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-benzhydryl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O3/c1-2-13-26-20(23)18(21(28)25-22(26)29)17(27)14-24-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,24H,2,13-14,23H2,1H3,(H,25,28,29)/p+1