N-(2,6-dimethylphenyl)-4-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]butyramide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C27H34N4O3S/c1-20-8-5-9-21(2)25(20)29-24(32)12-6-19-35-27-28-23-11-4-3-10-22(23)26(33)31(27)14-7-13-30-15-17-34-18-16-30/h3-5,8-11H,6-7,12-19H2,1-2H3,(H,29,32)