2-[[2,6-bis(azanyl)pyrimidin-4-yl]amino]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Systemtic Name: 2-[[2,6-bis(azanyl)pyrimidin-4-yl]amino]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-[(2,6-diaminopyrimidin-4-yl)amino]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-[(2,6-diamino-4-pyrimidinyl)amino]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-[(2,6-diaminopyrimidin-4-yl)amino]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 3-cetyloxypropoxy-[2-[(2,6-diaminopyrimidin-4-yl)amino]ethoxymethyl]phosphinic acid Formula: C26H52N5O5P MolecularWeight: 545.695341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCNC1=NC(=NC(=C1)N)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCNC1=NC(=NC(=C1)N)N)O

InChI

InChI=1S/C26H52N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-19-16-20-36-37(32,33)23-35-21-17-29-25-22-24(27)30-26(28)31-25/h22H,2-21,23H2,1H3,(H,32,33)(H5,27,28,29,30,31)