3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]-methylamino]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propionate Formula: C19H20N3O2S- MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N(C)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N(C)CCC(=O)[O-])C)C

InChI

InChI=1S/C19H21N3O2S/c1-11-5-6-14(9-12(11)2)16-13(3)25-19-17(16)18(20-10-21-19)22(4)8-7-15(23)24/h5-6,9-10H,7-8H2,1-4H3,(H,23,24)/p-1