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

Systemtic Name: 6-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Openeye Name: 6-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]hexanoate IUPAC Name: 6-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Formula: C20H22N3O2S- MolecularWeight: 368.47258

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-13-7-8-15(10-14(13)2)16-11-26-20-18(16)19(22-12-23-20)21-9-5-3-4-6-17(24)25/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25)(H,21,22,23)/p-1