1,3-benzodioxol-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(4-thieno[3,2-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazino)methanone Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2SC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2SC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H16N4O3S/c23-18(12-1-2-14-15(9-12)25-11-24-14)22-6-4-21(5-7-22)17-16-13(3-8-26-16)19-10-20-17/h1-3,8-10H,4-7,11H2