2-[[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid CAS Name: 2-[[6-ethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid Traditional Name: 2-[(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC(C)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC(C)C(=O)O

InChI

InChI=1S/C18H19N3O2S/c1-3-13-10-14-16(19-11(2)18(22)23)20-15(21-17(14)24-13)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,22,23)(H,19,20,21)