N-(2-methyl-6-propan-2-yl-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C25H30N4O2S/c1-17(2)19-9-6-7-18(3)24(19)28-23(30)16-32-25-20-8-4-5-10-21(20)26-22(27-25)15-29-11-13-31-14-12-29/h4-10,17H,11-16H2,1-3H3,(H,28,30)