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

Systemtic Name: 6-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Openeye Name: 6-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[5-(3,4-dimethylphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]amino]hexanoate IUPAC Name: 6-[[5-(3,4-dimethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Formula: C21H24N3O2S- MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-13-8-9-16(11-14(13)2)17-12-27-21-19(17)20(23-15(3)24-21)22-10-6-4-5-7-18(25)26/h8-9,11-12H,4-7,10H2,1-3H3,(H,25,26)(H,22,23,24)/p-1