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

Systemtic Name: phenethyl 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C28H24N4O2S MolecularWeight: 480.58076

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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)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2S/c1-19-24-26(32-23-9-7-21(8-10-23)17-22-11-14-29-15-12-22)30-18-31-27(24)35-25(19)28(33)34-16-13-20-5-3-2-4-6-20/h2-12,14-15,18H,13,16-17H2,1H3,(H,30,31,32)