2-azanyl-9-[3-[(E)-2-fluoranylethenyl]-2-methyl-phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-[(E)-2-fluoranylethenyl]-2-methyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-[(E)-2-fluorovinyl]-2-methyl-phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-[(E)-2-fluoroethenyl]-2-methylphenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-[(E)-2-fluoroethenyl]-2-methylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-[(E)-2-fluorovinyl]-2-methyl-phenyl]-3H-purin-6-one Formula: C14H12FN5O MolecularWeight: 285.276383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C=CF

Isomeric SMILES

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)/C=C/F

InChI

InChI=1S/C14H12FN5O/c1-8-9(5-6-15)3-2-4-10(8)20-7-17-11-12(20)18-14(16)19-13(11)21/h2-7H,1H3,(H3,16,18,19,21)/b6-5+