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

Systemtic Name: 1-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylate IUPAC Name: 1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)[O-])C)C(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-8-11-13(19-6-4-10(5-7-19)15(20)21)17-9(2)18-14(11)24-12(8)16(22)23-3/h10H,4-7H2,1-3H3,(H,20,21)/p-1