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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-dibenzyl-ammonium CAS Name: [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-dibenzylazanium Traditional Name: [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-dibenzyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H26N4O3/c1-2-13-27-21(24)20(22(29)25-23(27)30)19(28)16-26(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12H,2,13-16,24H2,1H3,(H,25,29,30)/p+1