[2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-cyclopentyl-dimethyl-azanium

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-cyclopentyl-dimethyl-azanium Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-cyclopentyl-dimethyl-ammonium CAS Name: [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl]-cyclopentyl-dimethylammonium IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-cyclopentyl-dimethylazanium Traditional Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-cyclopentyl-dimethyl-ammonium Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+](C)(C)C3CCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+](C)(C)C3CCCC3

InChI

InChI=1S/C22H30N4O3/c1-4-24-21(28)19(18(27)15-26(2,3)17-12-8-9-13-17)20(23)25(22(24)29)14-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3,(H-,23,27,28)/p+1