methyl 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C23H21N3O3S/c1-4-29-16-11-9-15(10-12-16)19-14(2)30-22-20(19)21(24-13-25-22)26-18-8-6-5-7-17(18)23(27)28-3/h5-13H,4H2,1-3H3,(H,24,25,26)