(2S,3R,4S,5S,6S)-3,4,5-tris(oxidanyl)-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3R,4S,5S,6S)-3,4,5-tris(oxidanyl)-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]oxane-2-carboxylic acid Openeye Name: (2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]oxane-2-carboxylic acid Traditional Name: (2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C26H26N4O7 MolecularWeight: 506.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O[C@H]5[C@H]([C@H]([C@H]([C@H](O5)C(=O)O)O)O)O

InChI

InChI=1S/C26H26N4O7/c1-13(14-5-3-2-4-6-14)29-23-17-11-18(30-24(17)28-12-27-23)15-7-9-16(10-8-15)36-26-21(33)19(31)20(32)22(37-26)25(34)35/h2-13,19-22,26,31-33H,1H3,(H,34,35)(H2,27,28,29,30)/t13-,19-,20+,21-,22-,26+/m0/s1