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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-10-13-15(18-9-19-16(13)23-14(10)17(21)22)20-7-6-11-4-2-3-5-12(11)8-20/h2-5,9H,6-8H2,1H3,(H,21,22)/p-1