2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-chloro-4-fluoro-anilino)methyl]-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-chloro-4-fluoroanilino)methyl]-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-chloro-4-fluoroanilino)methyl]-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-chloro-4-fluoro-anilino)methyl]-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H21ClFN3OS MolecularWeight: 453.959443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C4=C(S3)CCCC4)CNC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C4=C(S3)CCCC4)CNC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C24H21ClFN3OS/c1-14-5-4-6-16(11-14)29-21(13-27-15-9-10-19(26)18(25)12-15)28-23-22(24(29)30)17-7-2-3-8-20(17)31-23/h4-6,9-12,27H,2-3,7-8,13H2,1H3