1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-4,5-dihydropurine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-4,5-dihydropurine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(2-pyrimidinylthio)-4,5-dihydropurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-4,5-dihydropurine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(2-pyrimidylthio)-4,5-dihydropurine-2,6-quinone Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C(=O)N2C)C)N=C1SC3=NC=CC=N3

Isomeric SMILES

CN1C2C(C(=O)N(C(=O)N2C)C)N=C1SC3=NC=CC=N3

InChI

InChI=1S/C12H14N6O2S/c1-16-8-7(9(19)18(3)12(20)17(8)2)15-11(16)21-10-13-5-4-6-14-10/h4-8H,1-3H3