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

Systemtic Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(veratrylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H23N7O4S MolecularWeight: 469.51682

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O4S/c1-5-28-10-23-18-15(28)17(22-9-12-6-7-13(31-3)14(8-12)32-4)25-20(26-18)27-21-24-11(2)16(33-21)19(29)30/h6-8,10H,5,9H2,1-4H3,(H,29,30)(H2,22,24,25,26,27)