6-(furan-2-ylmethyl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-(furan-2-ylmethyl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-(2-furylmethyl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-(2-furanylmethyl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-(furan-2-ylmethyl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-(2-furfuryl)-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4O3/c22-16-14-10-20(9-13-7-4-8-24-13)11-18-15(14)21(17(23)19-16)12-5-2-1-3-6-12/h1-8,18H,9-11H2,(H,19,22,23)/p+1