2-(phenylmethyl)-7H-purin-6-amine phosphate

Systemtic Name: 2-(phenylmethyl)-7H-purin-6-amine phosphate Openeye Name: 2-benzyl-7H-purin-6-amine phosphate CAS Name: 2-(phenylmethyl)-7H-purin-6-amine phosphate IUPAC Name: 2-benzyl-7H-purin-6-amine phosphate Traditional Name: (2-benzyl-7H-purin-6-yl)amine phosphate Formula: C12H11N5O4P-3 MolecularWeight: 320.220601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C(=N2)N)NC=N3.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=N2)N)NC=N3.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C12H11N5.H3O4P/c13-11-10-12(15-7-14-10)17-9(16-11)6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,7H,6H2,(H3,13,14,15,16,17);(H3,1,2,3,4)/p-3