6-methyl-5-phenyl-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-phenyl-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-phenyl-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-phenyl-2-[4-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-phenyl-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-phenyl-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-16-20(18-5-3-2-4-6-18)22(26)24-21(23-16)19-9-7-17(8-10-19)15-25-11-13-27-14-12-25/h2-10H,11-15H2,1H3,(H,23,24,26)/p+1