methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)OC)C)C

InChI

InChI=1S/C21H19N5O2S/c1-11-10-12(2)23-21(22-11)26-18-15-13(3)16(20(27)28-4)29-19(15)25-17(24-18)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,22,23,24,25,26)