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

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]butyrate 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)NCCCC(=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-11-6-7-14(9-12(11)2)16-13(3)25-19-17(16)18(21-10-22-19)20-8-4-5-15(23)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,23,24)(H,20,21,22)/p-1