ethyl 1-methyl-5-[4-oxidanylidene-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[4-oxidanylidene-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[4-oxo-2-(trideuteriomethyl)-3-quinazolinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate Traditional Name: 5-[4-keto-2-(trideuteriomethyl)quinazolin-3-yl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 315.341725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

[2H]C([2H])([2H])C1=NC2=CC=CC=C2C(=O)N1C3=C(C=NN3C)C(=O)OCC

InChI

InChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3/i2D3