7-butyl-8-[(4-methoxyphenyl)sulfanylmethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[(4-methoxyphenyl)sulfanylmethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[(4-methoxyphenyl)sulfanylmethyl]purine-2,6-dione CAS Name: 7-butyl-8-[[(4-methoxyphenyl)thio]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(4-methoxyphenyl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[(4-methoxyphenyl)thio]methyl]xanthine Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N4O3S/c1-3-4-14-27-20(16-32-19-12-10-18(31-2)11-13-19)25-22-21(27)23(29)26-24(30)28(22)15-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,26,29,30)