methyl-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: methyl-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: methyl-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: methyl-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolinyl)methyl]-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: methyl-[(6-methyl-4-thiomorpholin-4-ylquinazolin-2-yl)methyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: methyl-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+](C)CC4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+](C)CC4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-18-8-9-22-21(14-18)25(30-10-12-32-13-11-30)27-24(26-22)17-29(2)16-20-15-23(31-28-20)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1