3,7-dimethyl-1-(2-methylpropyl)-5-methylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-methylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-methylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(methylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-methylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3,7-dimethyl-5-(methylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SC)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SC)C(=O)N(C(=O)N2CC(C)C)C

InChI

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