3-methyl-2-oxidanylidene-7-propan-2-yl-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 3-methyl-2-oxidanylidene-7-propan-2-yl-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-isopropyl-3-methyl-2-oxo-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 3-methyl-2-oxo-7-propan-2-yl-1-propyl-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 3-methyl-2-oxo-7-propan-2-yl-1-propyl-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-isopropyl-2-keto-3-methyl-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C13H17N4O2S- MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-5-6-17-10-8(12(18)16(4)13(17)19)11(20)15-9(14-10)7(2)3/h7,18H,5-6H2,1-4H3/p-1