4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-benzyl-1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzylpiperidino)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C(=O)[O-]

InChI

InChI=1S/C19H19N3O2S/c23-19(24)16-11-15-17(20-12-21-18(15)25-16)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24)/p-1