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

Systemtic Name: ethyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-(piperonylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H23N7O4S MolecularWeight: 481.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N7O4S/c1-4-29-10-24-19-16(29)18(23-9-13-6-7-14-15(8-13)33-11-32-14)26-21(27-19)28-22-25-12(3)17(34-22)20(30)31-5-2/h6-8,10H,4-5,9,11H2,1-3H3,(H2,23,25,26,27,28)