4-[ethyl-(3-methylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[ethyl-(3-methylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(N-ethyl-3-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(N-ethyl-3-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(N-ethyl-3-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(N-ethyl-3-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C3C(=C(SC3=NC=N2)C(=O)[O-])C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C3C(=C(SC3=NC=N2)C(=O)[O-])C

InChI

InChI=1S/C17H17N3O2S/c1-4-20(12-7-5-6-10(2)8-12)15-13-11(3)14(17(21)22)23-16(13)19-9-18-15/h5-9H,4H2,1-3H3,(H,21,22)/p-1