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

Systemtic Name: ethyl 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-[(4-cyanophenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(4-cyanophenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-[(4-cyanobenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H22N8O2S MolecularWeight: 462.52748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N8O2S/c1-4-30-12-25-19-16(30)18(24-11-15-8-6-14(10-23)7-9-15)27-21(28-19)29-22-26-13(3)17(33-22)20(31)32-5-2/h6-9,12H,4-5,11H2,1-3H3,(H2,24,26,27,28,29)