4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-16-9-10-17(2)19(12-16)15-28-22-20-7-3-4-8-21(20)26(23(27)25-22)14-18-6-5-11-24-13-18/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3