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

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-15(2)14-24-20(26)17-10-6-7-11-18(17)22-21(24)27-16(3)19(25)23-12-8-4-5-9-13-23/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3/t16-/m1/s1