methyl 4-[[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[(2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)C)C

InChI

InChI=1S/C21H23N3O3S/c1-6-16-22-13(3)17-12(2)18(28-19(17)23-16)20(25)24(4)11-14-7-9-15(10-8-14)21(26)27-5/h7-10H,6,11H2,1-5H3