methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C#N

Isomeric SMILES

C[C@H](C#N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C17H19N3O3S/c1-10(2)9-20-15(21)13-6-5-12(16(22)23-4)7-14(13)19-17(20)24-11(3)8-18/h5-7,10-11H,9H2,1-4H3/t11-/m1/s1