methyl 4-[6-cyano-4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[6-cyano-4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[6-cyano-4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[6-cyano-4-(diethylamino)-5-methyl-2-thieno[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-cyano-4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-[6-cyano-4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]benzoic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(SC2=NC(=N1)C3=CC=C(C=C3)C(=O)OC)C#N)C

Isomeric SMILES

CCN(CC)C1=C2C(=C(SC2=NC(=N1)C3=CC=C(C=C3)C(=O)OC)C#N)C

InChI

InChI=1S/C20H20N4O2S/c1-5-24(6-2)18-16-12(3)15(11-21)27-19(16)23-17(22-18)13-7-9-14(10-8-13)20(25)26-4/h7-10H,5-6H2,1-4H3