5-[[2-[4-[bis[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyridin-2-yl]pyridin-4-yl]-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-[4-[bis[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyridin-2-yl]pyridin-4-yl]-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-[4-[bis(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyl]-2-pyridyl]-4-pyridyl]-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-[4-[bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-2-pyridinyl]-4-pyridinyl]-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-[4-[bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]pyridin-2-yl]pyridin-4-yl]-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2-[4-[bis(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-yl)methyl]-2-pyridyl]-4-pyridyl]-(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-yl)methyl]-1,3-dimethyl-barbituric acid Formula: C36H36N10O12 MolecularWeight: 800.73084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C(C2C(=O)N(C(=O)N(C2=O)C)C)C3=CC(=NC=C3)C4=NC=CC(=C4)C(C5C(=O)N(C(=O)N(C5=O)C)C)C6C(=O)N(C(=O)N(C6=O)C)C

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C(C2C(=O)N(C(=O)N(C2=O)C)C)C3=CC(=NC=C3)C4=NC=CC(=C4)C(C5C(=O)N(C(=O)N(C5=O)C)C)C6C(=O)N(C(=O)N(C6=O)C)C

InChI

InChI=1S/C36H36N10O12/c1-39-25(47)21(26(48)40(2)33(39)55)19(22-27(49)41(3)34(56)42(4)28(22)50)15-9-11-37-17(13-15)18-14-16(10-12-38-18)20(23-29(51)43(5)35(57)44(6)30(23)52)24-31(53)45(7)36(58)46(8)32(24)54/h9-14,19-24H,1-8H3