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

Systemtic Name: 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(4-carbomethoxybenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21N7O4S MolecularWeight: 467.50094

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O4S/c1-4-28-10-23-17-14(28)16(22-9-12-5-7-13(8-6-12)19(31)32-3)25-20(26-17)27-21-24-11(2)15(33-21)18(29)30/h5-8,10H,4,9H2,1-3H3,(H,29,30)(H2,22,24,25,26,27)