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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propionate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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