3-methyl-7-(2-methylpropyl)-2-oxidanylidene-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 3-methyl-7-(2-methylpropyl)-2-oxidanylidene-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-isobutyl-3-methyl-2-oxo-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 3-methyl-7-(2-methylpropyl)-2-oxo-1-propyl-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 3-methyl-7-(2-methylpropyl)-2-oxo-1-propyl-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-isobutyl-2-keto-3-methyl-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C14H19N4O2S- MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=S)C2=C(N(C1=O)C)[O-])CC(C)C

Isomeric SMILES

CCCN1C2=NC(=NC(=S)C2=C(N(C1=O)C)[O-])CC(C)C

InChI

InChI=1S/C14H20N4O2S/c1-5-6-18-11-10(13(19)17(4)14(18)20)12(21)16-9(15-11)7-8(2)3/h8,19H,5-7H2,1-4H3/p-1