(3S)-1-[5-(4-methoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[5-(4-methoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(4-methoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(4-methoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(4-methoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCCC(C3)C(=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCC[C@@H](C3)C(=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N3O3S/c1-12-16(13-5-7-15(26-2)8-6-13)17-18(21-11-22-19(17)27-12)23-9-3-4-14(10-23)20(24)25/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,24,25)/p-1/t14-/m0/s1