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

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-cyclopropyl-quinazolin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H25N3O2S/c1-14(18(24)22-12-6-2-3-7-13-22)26-20-21-17-9-5-4-8-16(17)19(25)23(20)15-10-11-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/t14-/m0/s1