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

Systemtic Name: ethyl 4-[(4-acetamidophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-acetamidophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4-acetamidophenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetamidophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-acetamidobenzyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C19H20N4O3S/c1-4-26-19(25)16-11(2)15-17(21-10-22-18(15)27-16)20-9-13-5-7-14(8-6-13)23-12(3)24/h5-8,10H,4,9H2,1-3H3,(H,23,24)(H,20,21,22)