[2,4-bis(azanyl)pteridin-6-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2,4-bis(azanyl)pteridin-6-yl]methyl-triphenyl-phosphanium bromide Openeye Name: (2,4-diaminopteridin-6-yl)methyl-triphenyl-phosphonium bromide CAS Name: (2,4-diamino-6-pteridinyl)methyl-triphenylphosphonium bromide IUPAC Name: (2,4-diaminopteridin-6-yl)methyl-triphenylphosphanium bromide Traditional Name: (2,4-diaminopteridin-6-yl)methyl-triphenyl-phosphonium bromide Formula: C25H22BrN6P MolecularWeight: 517.360141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CN=C3C(=N2)C(=NC(=N3)N)N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CN=C3C(=N2)C(=NC(=N3)N)N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H22N6P.BrH/c26-23-22-24(31-25(27)30-23)28-16-18(29-22)17-32(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-16H,17H2,(H4,26,27,28,30,31);1H/q+1;/p-1