2-[(4-ethanoylpiperazin-1-yl)methyl]-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-ethanoylpiperazin-1-yl)methyl]-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-[(4-acetylpiperazin-1-yl)methyl]-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-[(4-acetylpiperazin-1-yl)methyl]-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-[(4-acetylpiperazino)methyl]-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-olate Formula: C17H21N4O4S- MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCN(CC3)C(=O)C)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCN(CC3)C(=O)C)[O-])C

InChI

InChI=1S/C17H22N4O4S/c1-4-25-17(24)14-10(2)13-15(23)18-12(19-16(13)26-14)9-20-5-7-21(8-6-20)11(3)22/h4-9H2,1-3H3,(H,18,19,23)/p-1