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

Systemtic Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoate Openeye Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoate CAS Name: 3-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]propanoate IUPAC Name: 3-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate Traditional Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-10-14(12-6-4-3-5-7-12)15-16(18-9-8-13(21)22)19-11(2)20-17(15)23-10/h3-7H,8-9H2,1-2H3,(H,21,22)(H,18,19,20)/p-1