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

Systemtic Name: ethyl 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H25N7O5S MolecularWeight: 511.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O5S/c1-5-30-10-25-20-16(30)19(24-9-13-7-14(32-4)17-15(8-13)34-11-35-17)27-22(28-20)29-23-26-12(3)18(36-23)21(31)33-6-2/h7-8,10H,5-6,9,11H2,1-4H3,(H2,24,26,27,28,29)