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

Systemtic Name: 6-(furan-2-ylmethyl)-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-(2-furylmethyl)-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-(2-furanylmethyl)-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-(furan-2-ylmethyl)-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-(2-furfuryl)-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CO3)N(C(=O)NC2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3/c24-18-16-12-22(11-15-7-4-10-26-15)13-20-17(16)23(19(25)21-18)9-8-14-5-2-1-3-6-14/h1-7,10,20H,8-9,11-13H2,(H,21,24,25)/p+1