methyl 2-[[[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-(3-bromanylphenoxy)phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-(3-bromanylphenoxy)phosphoryl]amino]propanoate Openeye Name: methyl 2-[[[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-(3-bromophenoxy)phosphoryl]amino]propanoate CAS Name: 2-[[[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-(3-bromophenoxy)phosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-(3-bromophenoxy)phosphoryl]amino]propanoate Traditional Name: 2-[[(5-adenin-9-yl-2,5-dihydrofuran-2-yl)methoxy-(3-bromophenoxy)phosphoryl]amino]propionic acid methyl ester Formula: C20H22BrN6O6P MolecularWeight: 553.303041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1C=CC(O1)N2C=NC3=C2N=CN=C3N)OC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C(=O)OC)NP(=O)(OCC1C=CC(O1)N2C=NC3=C2N=CN=C3N)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H22BrN6O6P/c1-12(20(28)30-2)26-34(29,33-14-5-3-4-13(21)8-14)31-9-15-6-7-16(32-15)27-11-25-17-18(22)23-10-24-19(17)27/h3-8,10-12,15-16H,9H2,1-2H3,(H,26,29)(H2,22,23,24)