2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C19H25N3O2S/c1-4-22-18(24)15-7-5-6-8-16(15)20-19(22)25-12-17(23)21-10-13(2)9-14(3)11-21/h5-8,13-14H,4,9-12H2,1-3H3/t13-,14-/m1/s1