3,7-dimethyl-1-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(2-pyrimidylthio)propyl]xanthine Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CC=N3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CC=N3

InChI

InChI=1S/C14H16N6O2S/c1-18-9-17-11-10(18)12(21)20(14(22)19(11)2)7-4-8-23-13-15-5-3-6-16-13/h3,5-6,9H,4,7-8H2,1-2H3