2-azanyl-8-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[(E)-3-[3-(trifluoromethyl)phenyl]allyl]-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[(E)-3-[3-(trifluoromethyl)phenyl]allyl]-3,7-dihydropurin-6-one Formula: C15H12F3N5O MolecularWeight: 335.28389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C=CCC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)/C=C/CC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C15H12F3N5O/c16-15(17,18)9-5-1-3-8(7-9)4-2-6-10-20-11-12(21-10)22-14(19)23-13(11)24/h1-5,7H,6H2,(H4,19,20,21,22,23,24)/b4-2+