3-[(2S)-butan-2-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C20H27N3O2S/c1-4-15(3)23-19(25)16-9-5-6-10-17(16)21-20(23)26-13-18(24)22-11-7-8-14(2)12-22/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3/t14-,15+/m1/s1