7-chloranyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-2-[(1R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]sulfanyl-3-isopropyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-2-[[(1R)-2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl]thio]-3-isopropyl-quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-12(2)24-20(27)17-10-9-16(22)11-18(17)23-21(24)28-15(5)19(26)25-13(3)7-6-8-14(25)4/h9-15H,6-8H2,1-5H3/t13-,14-,15-/m1/s1