7-chloranyl-2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(2-cyclopropyl-4-quinazolinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(2-cyclopropylquinazolin-4-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C20H15ClN4OS/c21-12-7-8-13-16(9-12)22-17(24-19(13)26)10-27-20-14-3-1-2-4-15(14)23-18(25-20)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,24,26)