ethyl 5-methyl-2-[[[(1R)-2-methyl-1-phenyl-propyl]amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[[(1R)-2-methyl-1-phenyl-propyl]amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[[[(1R)-2-methyl-1-phenyl-propyl]amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[[(1R)-2-methyl-1-phenyl-propyl]amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CNC(C3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN[C@@H](C3=CC=CC=C3)C(C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-27-21(26)18-13(4)16-19(25)23-15(24-20(16)28-18)11-22-17(12(2)3)14-9-7-6-8-10-14/h6-10,12,17,22H,5,11H2,1-4H3,(H,23,24,25)/t17-/m1/s1