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

Systemtic Name: 6-cyclohexyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclohexyl-1-(2-furylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclohexyl-1-(2-furanylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclohexyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclohexyl-1-(2-furfuryl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CO4

InChI

InChI=1S/C17H22N4O3/c22-16-14-10-20(12-5-2-1-3-6-12)11-18-15(14)21(17(23)19-16)9-13-7-4-8-24-13/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,19,22,23)/p+1