2-[[7-ethyl-6-[(4-methylsulfanylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[7-ethyl-6-[(4-methylsulfanylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(4-methylsulfanylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[[4-(methylthio)phenyl]methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(4-methylsulfanylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-[[4-(methylthio)benzyl]amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H21N7O2S2 MolecularWeight: 455.55644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C20H21N7O2S2/c1-4-27-10-22-17-14(27)16(21-9-12-5-7-13(30-3)8-6-12)24-19(25-17)26-20-23-11(2)15(31-20)18(28)29/h5-8,10H,4,9H2,1-3H3,(H,28,29)(H2,21,23,24,25,26)