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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-[(4-ethanoylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazino)methyl]-5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)N2

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)N2

InChI

InChI=1S/C21H24N4O4S/c1-13(26)25-8-6-24(7-9-25)11-18-22-20(27)19-15(12-30-21(19)23-18)14-4-5-16(28-2)17(10-14)29-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,23,27)