3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(2-pyrimidylthio)xanthine Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC3=NC=CC=N3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC3=NC=CC=N3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H18N6O2S/c1-3-4-5-9-21-10-11(20(2)14(23)19-12(10)22)18-15(21)24-13-16-7-6-8-17-13/h6-8H,3-5,9H2,1-2H3,(H,19,22,23)