[4-[(2-azanyl-7H-purin-6-yl)oxymethyl]phenyl]methylazanium

Systemtic Name: [4-[(2-azanyl-7H-purin-6-yl)oxymethyl]phenyl]methylazanium Openeye Name: [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylammonium CAS Name: [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylammonium IUPAC Name: [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylazanium Traditional Name: [4-[(2-amino-7H-purin-6-yl)oxymethyl]benzyl]ammonium Formula: C13H15N6O+ MolecularWeight: 271.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])COC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])COC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)/p+1