[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)CN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H18N4O4/c1-12(16(23)20(2)9-5-8-18)25-15(22)10-21-11-19-14-7-4-3-6-13(14)17(21)24/h3-4,6-7,11-12H,5,9-10H2,1-2H3/t12-/m1/s1