5-[(2S)-butan-2-yl]sulfanyl-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(2S)-butan-2-yl]sulfanyl-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3,7-trimethyl-5-[(1S)-1-methylpropyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[(2S)-butan-2-yl]thio]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2S)-butan-2-yl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3,7-trimethyl-5-[[(1S)-1-methylpropyl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CC[C@H](C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C13H18N4O2S/c1-6-7(2)20-11-9-10(14-8(3)15-11)16(4)13(19)17(5)12(9)18/h7H,6H2,1-5H3/t7-/m0/s1