2,5-dimethyl-4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-[(2S)-2-methylindolin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[(2S)-2-methylindolin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=C4C(=C(SC4=NC(=N3)C)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C3=C4C(=C(SC4=NC(=N3)C)C(=O)[O-])C

InChI

InChI=1S/C18H17N3O2S/c1-9-8-12-6-4-5-7-13(12)21(9)16-14-10(2)15(18(22)23)24-17(14)20-11(3)19-16/h4-7,9H,8H2,1-3H3,(H,22,23)/p-1/t9-/m0/s1