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

Systemtic Name: (2S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate Openeye Name: (2S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCCC3C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCC[C@H]3C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O2S/c1-11-14(12-6-3-2-4-7-12)15-16(19-10-20-17(15)24-11)21-9-5-8-13(21)18(22)23/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,22,23)/p-1/t13-/m0/s1