(2S)-1-(azepan-1-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]propan-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H23N3O2S/c1-15(21(25)24-12-6-2-3-7-13-24)27-20-16-9-4-5-10-17(16)22-19(23-20)18-11-8-14-26-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/t15-/m0/s1