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

Systemtic Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]methyl]benzoate IUPAC Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-9-10(2)22-15-13(9)14(18-8-19-15)17-7-11-3-5-12(6-4-11)16(20)21/h3-6,8H,7H2,1-2H3,(H,20,21)(H,17,18,19)/p-1