2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H18N4O2S/c1-2-12-8-14-17(21-10-22-18(14)26-12)23-16(19(24)25)7-11-9-20-15-6-4-3-5-13(11)15/h3-6,8-10,16,20H,2,7H2,1H3,(H,24,25)(H,21,22,23)