2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)OC

InChI

InChI=1S/C21H20N2O3S/c1-25-14-9-10-16(19(11-14)26-2)18(24)12-27-21-15-5-3-4-6-17(15)22-20(23-21)13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3