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

Systemtic Name: 6-butyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-butyl-1-(2-furylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-butyl-1-(2-furanylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-butyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-butyl-1-(2-furfuryl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CC=CO3

Isomeric SMILES

CCCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CC=CO3

InChI

InChI=1S/C15H20N4O3/c1-2-3-6-18-9-12-13(16-10-18)19(15(21)17-14(12)20)8-11-5-4-7-22-11/h4-5,7,16H,2-3,6,8-10H2,1H3,(H,17,20,21)/p+1