ethyl 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-[[(1S)-1-phenylethyl]amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H25N7O2S MolecularWeight: 451.5446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)N[C@@H](C)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7O2S/c1-5-29-12-23-18-16(29)19(24-13(3)15-10-8-7-9-11-15)27-21(26-18)28-22-25-14(4)17(32-22)20(30)31-6-2/h7-13H,5-6H2,1-4H3,(H2,24,25,26,27,28)/t13-/m0/s1