2-[[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-ethoxynicotinoyl)piperazino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H25N5O3S/c1-4-29-19-15(6-5-7-22-19)21(28)26-10-8-25(9-11-26)12-16-23-18(27)17-13(2)14(3)30-20(17)24-16/h5-7H,4,8-12H2,1-3H3,(H,23,24,27)