6-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoic acid

Systemtic Name: 6-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoic acid Openeye Name: 6-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoic acid CAS Name: 6-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]hexanoic acid IUPAC Name: 6-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoic acid Traditional Name: 6-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCCCC(=O)O

InChI

InChI=1S/C21H25N3O2S/c1-14(2)15-7-9-16(10-8-15)17-12-27-21-19(17)20(23-13-24-21)22-11-5-3-4-6-18(25)26/h7-10,12-14H,3-6,11H2,1-2H3,(H,25,26)(H,22,23,24)