2-[[6-[(4-carboxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[6-[(4-carboxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(4-carboxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-[(4-carboxyphenyl)methylamino]-9-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-[(4-carboxyphenyl)methylamino]-9-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(4-carboxybenzyl)amino]-9-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H19N7O4S MolecularWeight: 453.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)NC4=NC(=C(S4)C(=O)O)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)NC4=NC(=C(S4)C(=O)O)C

InChI

InChI=1S/C20H19N7O4S/c1-3-27-9-22-13-15(21-8-11-4-6-12(7-5-11)17(28)29)24-19(25-16(13)27)26-20-23-10(2)14(32-20)18(30)31/h4-7,9H,3,8H2,1-2H3,(H,28,29)(H,30,31)(H2,21,23,24,25,26)