[4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{4}-sulfanylidene]ethoxy]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{4}-sulfanylidene]ethoxy]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-$l^{4}-sulfanylidene]ethoxy]amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate CAS Name: [4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methyl-$l^{4}-sulfanylidene]ethoxy]amino]methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methyl-$l^{4}-sulfanylidene]ethoxy]amino]methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [4-[[[(2E)-2-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfuranylidene]ethoxy]amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C21H30N7O9PS MolecularWeight: 587.543161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNOCC=S(C)CC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNOC/C=[S@@](\C)/C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)COP(=O)(O)O

InChI

InChI=1S/C21H30N7O9PS/c1-11-16(29)13(12(5-23-11)7-36-38(32,33)34)6-27-35-3-4-39(2)8-14-17(30)18(31)21(37-14)28-10-26-15-19(22)24-9-25-20(15)28/h4-5,9-10,14,17-18,21,27,29-31H,3,6-8H2,1-2H3,(H2,22,24,25)(H2,32,33,34)/t14-,17-,18-,21-,39-/m1/s1