2-azanyl-1,3-dimethyl-5-[[2,3,4-tris(oxidanyl)phenyl]methylidene]pyrimidin-1-ium-4,6-dione

Systemtic Name: 2-azanyl-1,3-dimethyl-5-[[2,3,4-tris(oxidanyl)phenyl]methylidene]pyrimidin-1-ium-4,6-dione Openeye Name: 2-amino-1,3-dimethyl-5-[(2,3,4-trihydroxyphenyl)methylene]pyrimidin-1-ium-4,6-dione CAS Name: 2-amino-1,3-dimethyl-5-[(2,3,4-trihydroxyphenyl)methylidene]pyrimidin-1-ium-4,6-dione IUPAC Name: 2-amino-1,3-dimethyl-5-[(2,3,4-trihydroxyphenyl)methylidene]pyrimidin-1-ium-4,6-dione Traditional Name: 2-amino-1,3-dimethyl-5-(2,3,4-trihydroxybenzylidene)pyrimidin-1-ium-4,6-quinone Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C(=C(C=C2)O)O)O)C(=O)[N+](=C1N)C

Isomeric SMILES

CN1C(=O)C(=CC2=C(C(=C(C=C2)O)O)O)C(=O)[N+](=C1N)C

InChI

InChI=1S/C13H13N3O5/c1-15-11(20)7(12(21)16(2)13(15)14)5-6-3-4-8(17)10(19)9(6)18/h3-5,14H,1-2H3,(H3,17,18,19,20,21)/p+1