2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O6S/c1-6-13(7-2)33(30,31)14-8-9-16(32-5)15(10-14)23-17(27)11-26-12-22-19-18(26)20(28)25(4)21(29)24(19)3/h8-10,12-13H,6-7,11H2,1-5H3,(H,23,27)