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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-ethanoylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(1,3-benzodioxol-5-yl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-5-(1,3-benzodioxol-5-yl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(1,3-benzodioxol-5-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazino)methyl]-5-(1,3-benzodioxol-5-yl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC5=C(C=C4)OCO5)C(=O)N2

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC5=C(C=C4)OCO5)C(=O)N2

InChI

InChI=1S/C20H20N4O4S/c1-12(25)24-6-4-23(5-7-24)9-17-21-19(26)18-14(10-29-20(18)22-17)13-2-3-15-16(8-13)28-11-27-15/h2-3,8,10H,4-7,9,11H2,1H3,(H,21,22,26)