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

Systemtic Name: 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(4-acetamidobenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H22N8O3S MolecularWeight: 466.51618

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N8O3S/c1-4-29-10-23-18-15(29)17(22-9-13-5-7-14(8-6-13)25-12(3)30)26-20(27-18)28-21-24-11(2)16(33-21)19(31)32/h5-8,10H,4,9H2,1-3H3,(H,25,30)(H,31,32)(H2,22,24,26,27,28)