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

Systemtic Name: methyl 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O2S/c1-13-17-19(23-12-24-20(17)28-18(13)21(26)27-2)25-16-5-3-14(4-6-16)11-15-7-9-22-10-8-15/h3-10,12H,11H2,1-2H3,(H,23,24,25)