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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H26N4OS/c1-14(19(25)24-12-6-2-3-7-13-24)26-20-22-17-9-5-4-8-16(17)18(23-20)21-15-10-11-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,22,23)