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

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C21H27N3O4S/c1-13(2)12-24-19(26)16-8-7-15(20(27)28-4)11-17(16)22-21(24)29-14(3)18(25)23-9-5-6-10-23/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3/t14-/m1/s1