[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H15N3O3/c1-10-8-12(10)16(21)22-9-14-18-13-5-3-2-4-11(13)15(20)19(14)7-6-17/h2-5,10,12H,7-9H2,1H3/t10-,12-/m0/s1