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

Systemtic Name: 4-[[4-(diethylamino)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(diethylamino)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[4-(diethylamino)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H19N4O2S- MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)[O-])C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)[O-])C

InChI

InChI=1S/C18H20N4O2S/c1-4-22(5-2)13-8-6-12(7-9-13)21-16-14-11(3)15(18(23)24)25-17(14)20-10-19-16/h6-10H,4-5H2,1-3H3,(H,23,24)(H,19,20,21)/p-1