methyl 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoate

Systemtic Name: methyl 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoate Openeye Name: methyl 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoate CAS Name: 4-[(4-thieno[3,2-d]pyrimidinylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoate Traditional Name: 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoic acid methyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2SC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C15H13N3O2S/c1-20-15(19)11-4-2-10(3-5-11)8-16-14-13-12(6-7-21-13)17-9-18-14/h2-7,9H,8H2,1H3,(H,16,17,18)