N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]-13-chloranyl-tridecanamide

Systemtic Name: N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]-13-chloranyl-tridecanamide Openeye Name: 13-chloro-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]tridecanamide CAS Name: 13-chloro-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)-3-oxanyl]amino]-2-oxoethyl]tridecanamide IUPAC Name: 13-chloro-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tridecanamide Traditional Name: 13-chloro-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-keto-ethyl]tridecanamide Formula: C27H44ClN7O7 MolecularWeight: 614.13396

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC3C(C(C(C(O3)C(CO)O)NC(=O)CNC(=O)CCCCCCCCCCCCCl)O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)[C@H](CO)O)NC(=O)CNC(=O)CCCCCCCCCCCCCl)O)O

InChI

InChI=1S/C27H44ClN7O7/c28-12-10-8-6-4-2-1-3-5-7-9-11-18(38)29-13-19(39)34-20-22(40)23(41)27(42-24(20)17(37)14-36)35-26-21-25(31-15-30-21)32-16-33-26/h15-17,20,22-24,27,36-37,40-41H,1-14H2,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/t17-,20+,22+,23+,24-,27-/m0/s1