[2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(ethoxycarbonyloxy)propan-2-yl]phosphonic acid

Systemtic Name: [2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(ethoxycarbonyloxy)propan-2-yl]phosphonic acid Openeye Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-ethoxycarbonyloxy-1-(ethoxycarbonyloxymethyl)ethyl]phosphonic acid CAS Name: [2-[1-[(2-amino-9-purinyl)methyl]cyclopropyl]oxy-1,3-bis(ethoxycarbonyloxy)propan-2-yl]phosphonic acid IUPAC Name: [2-[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(ethoxycarbonyloxy)propan-2-yl]phosphonic acid Traditional Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-carbethoxyoxy-1-(carbethoxyoxymethyl)ethyl]phosphonic acid Formula: C18H26N5O10P MolecularWeight: 503.400301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCC(COC(=O)OCC)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

Isomeric SMILES

CCOC(=O)OCC(COC(=O)OCC)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

InChI

InChI=1S/C18H26N5O10P/c1-3-29-15(24)31-9-18(34(26,27)28,10-32-16(25)30-4-2)33-17(5-6-17)8-23-11-21-12-7-20-14(19)22-13(12)23/h7,11H,3-6,8-10H2,1-2H3,(H2,19,20,22)(H2,26,27,28)