3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-morpholino-2-oxo-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one Traditional Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2-keto-2-morpholino-ethyl)thio]quinazolin-4-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O3S/c1-15-6-5-9-19(16(15)2)25-21(27)17-7-3-4-8-18(17)23-22(25)29-14-20(26)24-10-12-28-13-11-24/h3-4,7-8,15-16,19H,5-6,9-14H2,1-2H3/t15-,16+,19+/m0/s1