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

Systemtic Name: 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-[(4-cyanophenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(4-cyanobenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H18N8O2S MolecularWeight: 434.47432

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N8O2S/c1-3-28-10-23-17-14(28)16(22-9-13-6-4-12(8-21)5-7-13)25-19(26-17)27-20-24-11(2)15(31-20)18(29)30/h4-7,10H,3,9H2,1-2H3,(H,29,30)(H2,22,24,25,26,27)