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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propionate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)[O-])C

InChI

InChI=1S/C17H17N3O2S/c1-10-3-4-12(7-11(10)2)13-8-23-17-15(13)16(19-9-20-17)18-6-5-14(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)/p-1