4-[[5-iodanyl-7-[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-iodanyl-7-[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-iodo-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 4-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-5-iodo-4-pyrrolo[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-iodo-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzonitrile Formula: C18H16IN5O3 MolecularWeight: 477.25581

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=C(C3=C2N=CN=C3NC4=CC=C(C=C4)C#N)I)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C2N=CN=C3NC4=CC=C(C=C4)C#N)I)O)O

InChI

InChI=1S/C18H16IN5O3/c1-9-14(25)15(26)18(27-9)24-7-12(19)13-16(21-8-22-17(13)24)23-11-4-2-10(6-20)3-5-11/h2-5,7-9,14-15,18,25-26H,1H3,(H,21,22,23)/t9-,14-,15-,18-/m1/s1