3-(2,3-dimethylphenyl)-N-(2-methyl-2-morpholin-4-yl-propyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-N-(2-methyl-2-morpholin-4-yl-propyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-(2-methyl-2-morpholino-propyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-[2-methyl-2-(4-morpholinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(2-methyl-2-morpholino-propyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)(C)N4CCOCC4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)(C)N4CCOCC4)NC2=S)C

InChI

InChI=1S/C25H30N4O3S/c1-16-6-5-7-21(17(16)2)29-23(31)19-9-8-18(14-20(19)27-24(29)33)22(30)26-15-25(3,4)28-10-12-32-13-11-28/h5-9,14H,10-13,15H2,1-4H3,(H,26,30)(H,27,33)