butyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-[(1-butoxy-1-oxidanylidene-propan-2-yl)amino]phosphoryl]amino]propanoate

Systemtic Name: butyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-[(1-butoxy-1-oxidanylidene-propan-2-yl)amino]phosphoryl]amino]propanoate Openeye Name: butyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-[(2-butoxy-1-methyl-2-oxo-ethyl)amino]phosphoryl]amino]propanoate CAS Name: 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-[(1-butoxy-1-oxopropan-2-yl)amino]phosphoryl]amino]propanoic acid butyl ester IUPAC Name: butyl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-[(1-butoxy-1-oxopropan-2-yl)amino]phosphoryl]amino]propanoate Traditional Name: 2-[[2-adenin-9-ylethoxymethyl-[(2-butoxy-2-keto-1-methyl-ethyl)amino]phosphoryl]amino]propionic acid butyl ester Formula: C22H38N7O6P MolecularWeight: 527.554181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=CN=C2N)NC(C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=CN=C2N)NC(C)C(=O)OCCCC

InChI

InChI=1S/C22H38N7O6P/c1-5-7-10-34-21(30)16(3)27-36(32,28-17(4)22(31)35-11-8-6-2)15-33-12-9-29-14-26-18-19(23)24-13-25-20(18)29/h13-14,16-17H,5-12,15H2,1-4H3,(H2,23,24,25)(H2,27,28,32)