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

Systemtic Name: 2,5-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(2-pyrimidyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H17N6O2S- MolecularWeight: 369.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S/c1-10-12-14(20-11(2)21-15(12)26-13(10)16(24)25)22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5H,6-9H2,1-2H3,(H,24,25)/p-1