7-butyl-3-(phenylmethyl)-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-[(4-quinazolinylthio)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[(quinazolin-4-ylthio)methyl]xanthine Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C25H24N6O2S/c1-2-3-13-30-20(15-34-24-18-11-7-8-12-19(18)26-16-27-24)28-22-21(30)23(32)29-25(33)31(22)14-17-9-5-4-6-10-17/h4-12,16H,2-3,13-15H2,1H3,(H,29,32,33)