4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-(4-piperonylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

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