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

Systemtic Name: 3-[[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid CAS Name: 3-[[6-ethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[(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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-2-13-11-14-17(19-9-8-16(22)23)20-15(21-18(14)24-13)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,22,23)(H,19,20,21)