methyl 3-[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenyl-propionic 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)NC(CC(=O)OC)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-16-22-13(3)18-12(2)19(28-21(18)24-16)20(26)23-15(11-17(25)27-4)14-9-7-6-8-10-14/h6-10,15H,5,11H2,1-4H3,(H,23,26)