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

Systemtic Name: ethyl 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-[(4-methoxycarbonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-[(4-carbomethoxybenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H25N7O4S MolecularWeight: 495.5541

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O4S/c1-5-30-12-25-19-16(30)18(24-11-14-7-9-15(10-8-14)20(31)33-4)27-22(28-19)29-23-26-13(3)17(35-23)21(32)34-6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,24,26,27,28,29)