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

Systemtic Name: 3-ethyl-5-methyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-benzylpiperazine-1-carbonyl)-3-ethyl-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(4-benzylpiperazine-1-carbonyl)-3-ethyl-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(4-benzylpiperazine-1-carbonyl)-3-ethyl-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-3-24-14-22-19-17(20(24)26)15(2)18(28-19)21(27)25-11-9-23(10-12-25)13-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3