2-[1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-(cyclopropylamino)-2-quinazolinyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-(cyclopropylamino)quinazolin-2-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C21H19N5OS/c1-12(18-23-17-9-5-3-7-15(17)20(27)25-18)28-21-24-16-8-4-2-6-14(16)19(26-21)22-13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,22,24,26)(H,23,25,27)