7-[(1S,2R)-2-methylcyclopropyl]-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-[(1S,2R)-2-methylcyclopropyl]-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-7-[(1S,2R)-2-methylcyclopropyl]-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C3CC3C

Isomeric SMILES

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)[C@H]3C[C@H]3C

InChI

InChI=1S/C13H16N4O2S/c1-3-4-17-10-8(11(18)16-13(17)19)12(20)15-9(14-10)7-5-6(7)2/h6-7H,3-5H2,1-2H3,(H,14,15,20)(H,16,18,19)/p-1/t6-,7+/m1/s1