2-[[(3-methylphenyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(3-methylphenyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-methylanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-methylanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-methylanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(m-toluidinomethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H17N3OS/c1-13-6-5-9-15(10-13)21-11-17-22-19(24)18-16(12-25-20(18)23-17)14-7-3-2-4-8-14/h2-10,12,21H,11H2,1H3,(H,22,23,24)