4-[[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxo-pyrimidin-5-yl]-hydroxy-methyl]benzonitrile CAS Name: 4-[[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxo-5-pyrimidinyl]-hydroxymethyl]benzonitrile IUPAC Name: 4-[[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]-hydroxymethyl]benzonitrile Traditional Name: 4-[[1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-diketo-pyrimidin-5-yl]-hydroxy-methyl]benzonitrile Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=C(C(=O)NC3=O)C(C4=CC=C(C=C4)C#N)O)CO)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=C(C=C4)C#N)O)CO)C

InChI

InChI=1S/C20H21N3O7/c1-20(2)29-15-13(9-24)28-18(16(15)30-20)23-8-12(17(26)22-19(23)27)14(25)11-5-3-10(7-21)4-6-11/h3-6,8,13-16,18,24-25H,9H2,1-2H3,(H,22,26,27)/t13-,14?,15-,16-,18-/m1/s1