2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-yl-purin-8-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-yl-purin-8-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholino-purin-8-yl]thiazole-4-carboxylic acid CAS Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-(4-morpholinyl)-8-purinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-ylpurin-8-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholino-purin-8-yl]thiazole-4-carboxylic acid Formula: C17H20N8O4S MolecularWeight: 432.4569

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C)C4=NC(=CS4)C(=O)O

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C)C4=NC(=CS4)C(=O)O

InChI

InChI=1S/C17H20N8O4S/c1-3-18-17(28)23-16-21-11-10(12(22-16)25-4-6-29-7-5-25)20-13(24(11)2)14-19-9(8-30-14)15(26)27/h8H,3-7H2,1-2H3,(H,26,27)(H2,18,21,22,23,28)