2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-(5-methylsulfonylpentyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-(5-methylsulfonylpentyl)-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(5-methylsulfonylpentyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(5-mesylpentyl)-3H-purin-6-one Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCS(=O)(=O)C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCS(=O)(=O)C)C

InChI

InChI=1S/C20H27N5O3S/c1-4-15-12-16(9-8-14(15)2)22-20-23-18-17(19(26)24-20)25(13-21-18)10-6-5-7-11-29(3,27)28/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,22,23,24,26)