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

Systemtic Name: methyl 3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-26-16-8-6-13(7-9-16)17-11-28-20-18(17)19(22-12-23-20)24-15-5-3-4-14(10-15)21(25)27-2/h3-12H,1-2H3,(H,22,23,24)