3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxidanylidene-pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxidanylidene-pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxo-pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[5-keto-5-(4-piperonylpiperazino)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCN4C(=O)C5=C(C=CS5)NC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCN4C(=O)C5=C(C=CS5)NC4=O

InChI

InChI=1S/C23H26N4O5S/c28-20(3-1-2-7-27-22(29)21-17(6-12-33-21)24-23(27)30)26-10-8-25(9-11-26)14-16-4-5-18-19(13-16)32-15-31-18/h4-6,12-13H,1-3,7-11,14-15H2,(H,24,30)