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

Systemtic Name: methyl 2-[[4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[4-(diethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[4-(diethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(SC2=NC=N1)C(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCN(CC)C1=C2C(=C(SC2=NC=N1)C(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C20H22N4O3S/c1-5-24(6-2)17-15-12(3)16(28-19(15)22-11-21-17)18(25)23-14-10-8-7-9-13(14)20(26)27-4/h7-11H,5-6H2,1-4H3,(H,23,25)