ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-9-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-9-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-9-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-ethyl-6-(veratrylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)OC)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)OC)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C23H27N7O4S/c1-6-30-12-25-17-19(24-11-14-8-9-15(32-4)16(10-14)33-5)27-22(28-20(17)30)29-23-26-13(3)18(35-23)21(31)34-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)