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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)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)16-13-3-8-26-17(13)20-10-19-16/h1-3,8-10H,4-7,11H2