(2R,4aR,6R,7S,8S,8aS)-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-8-carbonitrile

Systemtic Name: (2R,4aR,6R,7S,8S,8aS)-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-8-carbonitrile Openeye Name: (2R,4aR,6R,7S,8S,8aS)-7-hydroxy-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-8-carbonitrile CAS Name: (2R,4aR,6R,7S,8S,8aS)-7-hydroxy-6-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-carbonitrile IUPAC Name: (2R,4aR,6R,7S,8S,8aS)-7-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-8-carbonitrile Traditional Name: (2R,4aR,6R,7S,8S,8aS)-6-(2,4-diketo-5-methyl-pyrimidin-1-yl)-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-carbonitrile Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C19H19N3O6/c1-10-8-22(19(25)21-16(10)24)17-14(23)12(7-20)15-13(27-17)9-26-18(28-15)11-5-3-2-4-6-11/h2-6,8,12-15,17-18,23H,9H2,1H3,(H,21,24,25)/t12-,13+,14-,15-,17+,18+/m0/s1