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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C27H34N4O2S/c1-18(2)20-9-7-10-21(19(3)4)26(20)30-25(32)17-34-27-22-8-5-6-11-23(22)28-24(29-27)16-31-12-14-33-15-13-31/h5-11,18-19H,12-17H2,1-4H3,(H,30,32)/p+1