7-chloranyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-3-isobutyl-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-3-isobutyl-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-13(2)10-24-19(26)16-7-6-15(21)9-17(16)22-20(24)27-12-18(25)23-8-4-5-14(3)11-23/h6-7,9,13-14H,4-5,8,10-12H2,1-3H3/t14-/m0/s1