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2-[[3-[bis(fluoranyl)methyl]phenyl]amino]-3,7-dihydropurin-6-one

2-[[3-[bis(fluoranyl)methyl]phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name:2-[[3-[bis(fluoranyl)methyl]phenyl]amino]-3,7-dihydropurin-6-one
Openeye Name:2-[3-(difluoromethyl)anilino]-3,7-dihydropurin-6-one
CAS Name:2-[3-(difluoromethyl)anilino]-3,7-dihydropurin-6-one
IUPAC Name:2-[3-(difluoromethyl)anilino]-3,7-dihydropurin-6-one
Traditional Name:2-[3-(difluoromethyl)anilino]-3,7-dihydropurin-6-one
Formula: C12H9F2N5O
MolecularWeight: 277.229566
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)C(F)F


Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)C(F)F


InChI

InChI=1S/C12H9F2N5O/c13-9(14)6-2-1-3-7(4-6)17-12-18-10-8(11(20)19-12)15-5-16-10/h1-5,9H,(H3,15,16,17,18,19,20)


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