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

Systemtic Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-(1,3-benzodioxol-5-ylmethylamino)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(piperonylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H19N7O4S MolecularWeight: 453.47436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O4S/c1-3-27-8-22-17-14(27)16(21-7-11-4-5-12-13(6-11)31-9-30-12)24-19(25-17)26-20-23-10(2)15(32-20)18(28)29/h4-6,8H,3,7,9H2,1-2H3,(H,28,29)(H2,21,23,24,25,26)