2-(2-azanylethyl)-7-[(3-fluorophenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-(2-azanylethyl)-7-[(3-fluorophenyl)methyl]-3H-purin-6-one Openeye Name: 2-(2-aminoethyl)-7-[(3-fluorophenyl)methyl]-3H-purin-6-one CAS Name: 2-(2-aminoethyl)-7-[(3-fluorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2-aminoethyl)-7-[(3-fluorophenyl)methyl]-3H-purin-6-one Traditional Name: 2-(2-aminoethyl)-7-(3-fluorobenzyl)-3H-purin-6-one Formula: C14H14FN5O MolecularWeight: 287.292263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CN2C=NC3=C2C(=O)N=C(N3)CCN

Isomeric SMILES

C1=CC(=CC(=C1)F)CN2C=NC3=C2C(=O)N=C(N3)CCN

InChI

InChI=1S/C14H14FN5O/c15-10-3-1-2-9(6-10)7-20-8-17-13-12(20)14(21)19-11(18-13)4-5-16/h1-3,6,8H,4-5,7,16H2,(H,18,19,21)