[5-(6-azanyl-8-ethylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-ethylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(6-amino-8-ethylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[6-amino-8-(ethylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(6-amino-8-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[6-amino-8-(ethylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C12H18N5O7PS MolecularWeight: 407.339381

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CN=C2N

Isomeric SMILES

CCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CN=C2N

InChI

InChI=1S/C12H18N5O7PS/c1-2-26-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(24-11)3-23-25(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,14,15)(H2,20,21,22)