5-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-2-[(4-ethylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)C)C)C(=O)N2

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)C)C)C(=O)N2

InChI

InChI=1S/C21H26N4OS/c1-4-24-7-9-25(10-8-24)12-18-22-20(26)19-17(13-27-21(19)23-18)16-6-5-14(2)15(3)11-16/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,23,26)