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

Systemtic Name: 6-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoate Openeye Name: 6-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoate CAS Name: 6-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]hexanoate IUPAC Name: 6-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate Traditional Name: 6-[(2,6-dimethyl-5-phenyl-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(C2=C(N=C(N=C2S1)C)NCCCCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)NCCCCCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-13-17(15-9-5-3-6-10-15)18-19(22-14(2)23-20(18)26-13)21-12-8-4-7-11-16(24)25/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,24,25)(H,21,22,23)/p-1