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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-methylamino]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propionate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-11-4-5-13(8-12(11)2)14-9-24-18-16(14)17(19-10-20-18)21(3)7-6-15(22)23/h4-5,8-10H,6-7H2,1-3H3,(H,22,23)/p-1