5,6-dimethyl-2-[1-[(2-phenylsulfanylphenyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[1-[(2-phenylsulfanylphenyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[1-(2-phenylsulfanylanilino)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[1-[2-(phenylthio)anilino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[1-(2-phenylsulfanylanilino)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[1-[2-(phenylthio)anilino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)NC3=CC=CC=C3SC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)NC3=CC=CC=C3SC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3OS2/c1-13-15(3)27-22-19(13)21(26)24-20(25-22)14(2)23-17-11-7-8-12-18(17)28-16-9-5-4-6-10-16/h4-12,14,23H,1-3H3,(H,24,25,26)