(5-ethoxycarbonyl-2-phenyl-pyrimidin-4-yl)-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-ethoxycarbonyl-2-phenyl-pyrimidin-4-yl)-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl]-(5-ethoxycarbonyl-2-phenyl-pyrimidin-4-yl)ammonium CAS Name: (5-ethoxycarbonyl-2-phenyl-4-pyrimidinyl)-[2-[ethyl-(phenylmethyl)amino]-2-oxoethyl]ammonium IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl]-(5-ethoxycarbonyl-2-phenylpyrimidin-4-yl)azanium Traditional Name: [2-[benzyl(ethyl)amino]-2-keto-ethyl]-(5-carbethoxy-2-phenyl-pyrimidin-4-yl)ammonium Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH2+]C2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH2+]C2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O3/c1-3-28(17-18-11-7-5-8-12-18)21(29)16-26-23-20(24(30)31-4-2)15-25-22(27-23)19-13-9-6-10-14-19/h5-15H,3-4,16-17H2,1-2H3,(H,25,26,27)/p+1