3-butyl-7-propyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-propyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-[(2-pyrimidinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-[(2-pyrimidylthio)methyl]xanthine Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CC=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CC=N3)CCC

InChI

InChI=1S/C17H22N6O2S/c1-3-5-10-23-14-13(15(24)21-17(23)25)22(9-4-2)12(20-14)11-26-16-18-7-6-8-19-16/h6-8H,3-5,9-11H2,1-2H3,(H,21,24,25)