N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine phosphate

Systemtic Name: N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-yl-pyrimidin-2-amine phosphate Openeye Name: N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-(2-thienyl)pyrimidin-2-amine phosphate CAS Name: N-[3-[2-(1-imidazolyl)ethoxy]phenyl]-4-thiophen-2-yl-2-pyrimidinamine phosphate IUPAC Name: N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine phosphate Traditional Name: [3-(2-imidazol-1-ylethoxy)phenyl]-[4-(2-thienyl)pyrimidin-2-yl]amine phosphate Formula: C19H17N5O5PS-3 MolecularWeight: 458.407541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCN2C=CN=C2)NC3=NC=CC(=N3)C4=CC=CS4.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCN2C=CN=C2)NC3=NC=CC(=N3)C4=CC=CS4.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H17N5OS.H3O4P/c1-3-15(13-16(4-1)25-11-10-24-9-8-20-14-24)22-19-21-7-6-17(23-19)18-5-2-12-26-18;1-5(2,3)4/h1-9,12-14H,10-11H2,(H,21,22,23);(H3,1,2,3,4)/p-3