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

Systemtic Name: methyl 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O2S/c1-13-3-5-14(6-4-13)17-11-27-20-18(17)19(22-12-23-20)24-16-9-7-15(8-10-16)21(25)26-2/h3-12H,1-2H3,(H,22,23,24)