5-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(2-pyrimidyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H15N6O2S- MolecularWeight: 355.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=NC=CC=N4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=NC=CC=N4)C(=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c1-10-11-13(19-9-20-14(11)25-12(10)15(23)24)21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9H,5-8H2,1H3,(H,23,24)/p-1