6-chloranyl-3-(2-methylpropyl)-2-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[[(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[[(1R)-2-keto-1-methyl-2-piperidino-ethyl]thio]quinazolin-4-one Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-13(2)12-24-19(26)16-11-15(21)7-8-17(16)22-20(24)27-14(3)18(25)23-9-5-4-6-10-23/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3/t14-/m1/s1