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

Systemtic Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methoxy-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methoxy-thiazole-5-carboxylate CAS Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methoxy-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methoxy-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-(veratrylamino)purin-2-yl]amino]-4-methoxy-thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O5S MolecularWeight: 513.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O5S/c1-6-30-12-25-19-16(30)18(24-11-13-8-9-14(32-3)15(10-13)33-4)26-22(27-19)29-23-28-20(34-5)17(36-23)21(31)35-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)