2-[[7-ethyl-6-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[7-ethyl-6-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-[(4-benzoxy-3-methoxy-benzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C27H27N7O4S MolecularWeight: 545.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H27N7O4S/c1-4-34-15-29-24-21(34)23(31-26(32-24)33-27-30-16(2)22(39-27)25(35)36)28-13-18-10-11-19(20(12-18)37-3)38-14-17-8-6-5-7-9-17/h5-12,15H,4,13-14H2,1-3H3,(H,35,36)(H2,28,30,31,32,33)