propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(pyrimidin-2-ylamino)propanoate

Systemtic Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(pyrimidin-2-ylamino)propanoate Openeye Name: isopropyl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(pyrimidin-2-ylamino)propanoate CAS Name: 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(2-pyrimidinylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(pyrimidin-2-ylamino)propanoate Traditional Name: 2-(1,3-dithiol-2-ylidene)-3-keto-3-(2-pyrimidylamino)propionic acid isopropyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=NC=CC=N2

Isomeric SMILES

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H13N3O3S2/c1-8(2)19-11(18)9(12-20-6-7-21-12)10(17)16-13-14-4-3-5-15-13/h3-8H,1-2H3,(H,14,15,16,17)