(2R,3S,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; [(2S,4R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxyphosphinic acid

Systemtic Name: (2R,3S,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; [(2S,4R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxyphosphinic acid Openeye Name: (2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; [(2S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphinic acid CAS Name: (2R,3S,5R)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol; [(2S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxyphosphinic acid IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; [(2S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinic acid Traditional Name: (2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol; [(2S,4R,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxyphosphinic acid Formula: C20H27ClN7O10P MolecularWeight: 591.896041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(CC(O2)COP(=O)O)O.C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)O)O.C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3N)Cl)CO)O

InChI

InChI=1S/C10H12ClN5O3.C10H15N2O7P/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6;1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(19-9)4-18-20(16)17/h3-6,17-18H,1-2H2,(H2,12,14,15);3,6-7,9,13,20H,2,4H2,1H3,(H,16,17)(H,11,14,15)/t4-,5+,6+;6-,7+,9+/m00/s1