2-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]ethynoxy-oxidanylidene-phenoxy-phosphanium

Systemtic Name: 2-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]ethynoxy-oxidanylidene-phenoxy-phosphanium Openeye Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]ethynoxy-oxo-phenoxy-phosphonium CAS Name: 2-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]ethynoxy-oxo-phenoxyphosphonium IUPAC Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynoxy-oxo-phenoxyphosphanium Traditional Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]ethynoxy-keto-phenoxy-phosphonium Formula: C21H20N4O5P+ MolecularWeight: 439.381061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CO[P+](=O)OC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CO[P+](=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N4O5P/c1-27-18-12-14(11-16-13-24-21(23)25-20(16)22)10-15(19(18)28-2)8-9-29-31(26)30-17-6-4-3-5-7-17/h3-7,10,12-13H,11H2,1-2H3,(H4,22,23,24,25)/q+1