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4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate

4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate

Systemtic Name:4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate
Openeye Name:4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate
CAS Name:4,6-dimethyl-2-(2-phenylhexylamino)-5-pyrimidinol phosphate
IUPAC Name:4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate
Traditional Name:4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-ol phosphate
Formula: C18H25N3O5P-3
MolecularWeight: 394.381961
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)C)O)C)C2=CC=CC=C2.[O-]P(=O)([O-])[O-]


Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)C)O)C)C2=CC=CC=C2.[O-]P(=O)([O-])[O-]


InChI

InChI=1S/C18H25N3O.H3O4P/c1-4-5-9-16(15-10-7-6-8-11-15)12-19-18-20-13(2)17(22)14(3)21-18;1-5(2,3)4/h6-8,10-11,16,22H,4-5,9,12H2,1-3H3,(H,19,20,21);(H3,1,2,3,4)/p-3


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