4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC4=CC=CC=C4C3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC4=CC=CC=C4C3)C)C(=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-10-14-16(19-11(2)20-17(14)24-15(10)18(22)23)21-8-7-12-5-3-4-6-13(12)9-21/h3-6H,7-9H2,1-2H3,(H,22,23)/p-1