6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-ethyl-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-ethyl-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-ethyl-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-ethyl-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-ethyl-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5-methyl-6-(4-piperonylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H24N4O4S/c1-3-25-12-23-20-18(21(25)27)14(2)19(31-20)22(28)26-8-6-24(7-9-26)11-15-4-5-16-17(10-15)30-13-29-16/h4-5,10,12H,3,6-9,11,13H2,1-2H3