2-azanyl-9-[3-[2,2-bis(fluoranyl)ethyl]-2-methyl-phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-[2,2-bis(fluoranyl)ethyl]-2-methyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-(2,2-difluoroethyl)-2-methyl-phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-(2,2-difluoroethyl)-2-methylphenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-(2,2-difluoroethyl)-2-methylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-(2,2-difluoroethyl)-2-methyl-phenyl]-3H-purin-6-one Formula: C14H13F2N5O MolecularWeight: 305.282726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F2N5O/c1-7-8(5-10(15)16)3-2-4-9(7)21-6-18-11-12(21)19-14(17)20-13(11)22/h2-4,6,10H,5H2,1H3,(H3,17,19,20,22)