5,5-dimethyl-2-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(pyrimidin-2-ylamino)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(2-pyrimidinylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(2-pyrimidylamino)methylene]cyclohexane-1,3-quinone Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=NC=CC=N2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=NC=CC=N2)C(=O)C1)C

InChI

InChI=1S/C13H15N3O2/c1-13(2)6-10(17)9(11(18)7-13)8-16-12-14-4-3-5-15-12/h3-5,8H,6-7H2,1-2H3,(H,14,15,16)