N-[2-[4-[(2-butyl-6-oxidanylidene-8-propan-2-yl-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[2-[4-[(2-butyl-6-oxidanylidene-8-propan-2-yl-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide Openeye Name: N-[2-[4-[(2-butyl-8-isopropyl-6-oxo-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide CAS Name: N-[2-[4-[(2-butyl-6-oxo-8-propan-2-yl-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide IUPAC Name: N-[2-[4-[(2-butyl-6-oxo-8-propan-2-yl-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide Traditional Name: N-[2-[4-[(2-butyl-8-isopropyl-6-keto-7H-purin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide Formula: C32H33N5O4S MolecularWeight: 583.70052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)NC(=N2)C(C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)NC(=N2)C(C)C

InChI

InChI=1S/C32H33N5O4S/c1-4-5-15-27-33-30-28(34-29(35-30)21(2)3)32(39)37(27)20-22-16-18-23(19-17-22)25-13-9-10-14-26(25)42(40,41)36-31(38)24-11-7-6-8-12-24/h6-14,16-19,21H,4-5,15,20H2,1-3H3,(H,34,35)(H,36,38)