4-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(2-cyclopropyl-4-quinazolinyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(2-cyclopropylquinazolin-4-yl)thio]-1-phenyl-butan-1-one Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2OS/c24-19(15-7-2-1-3-8-15)11-6-14-25-21-17-9-4-5-10-18(17)22-20(23-21)16-12-13-16/h1-5,7-10,16H,6,11-14H2