N-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-N-benzyl-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-N-benzyl-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]-N-benzyl-2-(4-mesylphenyl)acetamide Formula: C28H34N6O5S MolecularWeight: 566.67176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H34N6O5S/c1-3-4-17-39-27-31-25(29)24-26(32-27)34(28(36)30-24)16-8-15-33(19-21-9-6-5-7-10-21)23(35)18-20-11-13-22(14-12-20)40(2,37)38/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,30,36)(H2,29,31,32)