1-(1,3-benzodioxol-5-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-thieno[2,3-d]pyrimidinyl)-2-piperazinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one Traditional Name: 1-piperonyl-4-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-one Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=C3C=CSC3=NC=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C(=O)CN1C2=C3C=CSC3=NC=N2)CC4=CC5=C(C=C4)OCO5

InChI

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