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

Systemtic Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-3-13-9-15-18(22-11(2)23-19(15)27-13)24-17(20(25)26)8-12-10-21-16-7-5-4-6-14(12)16/h4-7,9-10,17,21H,3,8H2,1-2H3,(H,25,26)(H,22,23,24)