2-(2-hydroxyethylamino)-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one

Systemtic Name: 2-(2-hydroxyethylamino)-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one Openeye Name: 7-benzyl-2-(2-hydroxyethylamino)-3,9-dihydropurin-7-ium-6-one CAS Name: 2-(2-hydroxyethylamino)-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one IUPAC Name: 7-benzyl-2-(2-hydroxyethylamino)-3,9-dihydropurin-7-ium-6-one Traditional Name: 7-benzyl-2-(2-hydroxyethylamino)-3,9-dihydropurin-7-ium-6-one Formula: C14H16N5O2+ MolecularWeight: 286.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CNC3=C2C(=O)N=C(N3)NCCO

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CNC3=C2C(=O)N=C(N3)NCCO

InChI

InChI=1S/C14H15N5O2/c20-7-6-15-14-17-12-11(13(21)18-14)19(9-16-12)8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,17,18,21)/p+1