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

Systemtic Name: 2-[[6-[(3-chloranyl-4-methyl-phenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(3-chloro-4-methyl-phenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-[(3-chloro-4-methylphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-[(3-chloro-4-methylphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(3-chloro-4-methyl-benzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H20ClN7O2S MolecularWeight: 457.9365

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN7O2S/c1-4-28-9-23-17-14(28)16(22-8-12-6-5-10(2)13(21)7-12)25-19(26-17)27-20-24-11(3)15(31-20)18(29)30/h5-7,9H,4,8H2,1-3H3,(H,29,30)(H2,22,24,25,26,27)