2-(2-butoxy-5-sulfanyl-pyridin-3-yl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one

Systemtic Name: 2-(2-butoxy-5-sulfanyl-pyridin-3-yl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one Openeye Name: 8-benzyl-2-(2-butoxy-5-sulfanyl-3-pyridyl)-9-propyl-3H-purin-6-one CAS Name: 2-(2-butoxy-5-mercapto-3-pyridinyl)-8-(phenylmethyl)-9-propyl-3H-purin-6-one IUPAC Name: 8-benzyl-2-(2-butoxy-5-sulfanylpyridin-3-yl)-9-propyl-3H-purin-6-one Traditional Name: 8-benzyl-2-(2-butoxy-5-mercapto-3-pyridyl)-9-propyl-3H-purin-6-one Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S

InChI

InChI=1S/C24H27N5O2S/c1-3-5-12-31-24-18(14-17(32)15-25-24)21-27-22-20(23(30)28-21)26-19(29(22)11-4-2)13-16-9-7-6-8-10-16/h6-10,14-15,32H,3-5,11-13H2,1-2H3,(H,27,28,30)