2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-13(2)11-25-20(27)16-9-8-15(22)10-18(16)24-21(25)28-12-19(26)23-17-7-5-4-6-14(17)3/h8-10,13-14,17H,4-7,11-12H2,1-3H3,(H,23,26)/t14-,17-/m0/s1