(3Z)-1-methyl-3-[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]pyrazolidin-3-ylidene]quinoline-2,4-dione

Systemtic Name: (3Z)-1-methyl-3-[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]pyrazolidin-3-ylidene]quinoline-2,4-dione Openeye Name: (3Z)-1-methyl-3-[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylene]pyrazolidin-3-ylidene]quinoline-2,4-dione CAS Name: (3Z)-1-methyl-3-[(4Z)-5-oxo-4-[(2-pyrimidinylamino)methylidene]-3-pyrazolidinylidene]quinoline-2,4-dione IUPAC Name: (3Z)-1-methyl-3-[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylidene]pyrazolidin-3-ylidene]quinoline-2,4-dione Traditional Name: (3Z)-3-[(4Z)-5-keto-4-[(2-pyrimidylamino)methylene]pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3C(=CNC4=NC=CC=N4)C(=O)NN3)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)/C(=C/3\C(=C\NC4=NC=CC=N4)\C(=O)NN3)/C1=O

InChI

InChI=1S/C18H14N6O3/c1-24-12-6-3-2-5-10(12)15(25)13(17(24)27)14-11(16(26)23-22-14)9-21-18-19-7-4-8-20-18/h2-9,22H,1H3,(H,23,26)(H,19,20,21)/b11-9-,14-13-