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

Systemtic Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)amino]methyl]benzoate IUPAC Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC=C(C=C3)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC=C(C=C3)C(=O)[O-])C)C

InChI

InChI=1S/C17H17N3O2S/c1-9-10(2)23-16-14(9)15(19-11(3)20-16)18-8-12-4-6-13(7-5-12)17(21)22/h4-7H,8H2,1-3H3,(H,21,22)(H,18,19,20)/p-1