3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylazepan-2-one Openeye Name: 3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylazepan-2-one CAS Name: 3-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-2-azepanone IUPAC Name: 3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[4-(cyclopropylamino)quinazolin-2-yl]thio]azepan-2-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C17H20N4OS/c22-16-14(7-3-4-10-18-16)23-17-20-13-6-2-1-5-12(13)15(21-17)19-11-8-9-11/h1-2,5-6,11,14H,3-4,7-10H2,(H,18,22)(H,19,20,21)