2-azanyl-9-[3-[(E)-3,3-bis(fluoranyl)prop-1-enyl]-2-methyl-phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-[(E)-3,3-bis(fluoranyl)prop-1-enyl]-2-methyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-[(E)-3,3-difluoroprop-1-enyl]-2-methyl-phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-[(E)-3,3-difluoroprop-1-enyl]-2-methylphenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-[(E)-3,3-difluoroprop-1-enyl]-2-methylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-[(E)-3,3-difluoroprop-1-enyl]-2-methyl-phenyl]-3H-purin-6-one Formula: C15H13F2N5O MolecularWeight: 317.293426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F2N5O/c1-8-9(5-6-11(16)17)3-2-4-10(8)22-7-19-12-13(22)20-15(18)21-14(12)23/h2-7,11H,1H3,(H3,18,20,21,23)/b6-5+