methyl 2-[[4-(6-azanyl-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[4-(6-azanyl-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl 2-[[4-(6-amino-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[4-(6-amino-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(6-amino-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[4-(6-amino-3,6-dihydropurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C19H23N6O5P MolecularWeight: 446.396881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC#CCN1C=NC2=C1NC=NC2N)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)NP(=O)(OCC#CCN1C=NC2=C1NC=NC2N)OC3=CC=CC=C3

InChI

InChI=1S/C19H23N6O5P/c1-14(19(26)28-2)24-31(27,30-15-8-4-3-5-9-15)29-11-7-6-10-25-13-23-16-17(20)21-12-22-18(16)25/h3-5,8-9,12-14,17H,10-11,20H2,1-2H3,(H,21,22)(H,24,27)