1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(sulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[oxidanyl(phenyl)methyl]pyrimidine-2,4-dione

Systemtic Name: 1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(sulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[oxidanyl(phenyl)methyl]pyrimidine-2,4-dione Openeye Name: 1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(sulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[hydroxy(phenyl)methyl]pyrimidine-2,4-dione CAS Name: 1-[(3aR,4R,6S,6aS)-6-(mercaptomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[hydroxy(phenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(sulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[hydroxy(phenyl)methyl]pyrimidine-2,4-dione Traditional Name: 1-[(3aR,4R,6S,6aS)-6-(mercaptomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[hydroxy(phenyl)methyl]pyrimidine-2,4-quinone Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=C(C(=O)NC3=O)C(C4=CC=CC=C4)O)CS)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)C(C4=CC=CC=C4)O)CS)C

InChI

InChI=1S/C19H22N2O6S/c1-19(2)26-14-12(9-28)25-17(15(14)27-19)21-8-11(16(23)20-18(21)24)13(22)10-6-4-3-5-7-10/h3-8,12-15,17,22,28H,9H2,1-2H3,(H,20,23,24)/t12-,13?,14-,15-,17-/m1/s1