2-azanyl-7-[[2,6-bis(fluoranyl)phenyl]methyl]-9-(3-methoxyphenyl)purin-8-one

Systemtic Name: 2-azanyl-7-[[2,6-bis(fluoranyl)phenyl]methyl]-9-(3-methoxyphenyl)purin-8-one Openeye Name: 2-amino-7-[(2,6-difluorophenyl)methyl]-9-(3-methoxyphenyl)purin-8-one CAS Name: 2-amino-7-[(2,6-difluorophenyl)methyl]-9-(3-methoxyphenyl)-8-purinone IUPAC Name: 2-amino-7-[(2,6-difluorophenyl)methyl]-9-(3-methoxyphenyl)purin-8-one Traditional Name: 2-amino-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)purin-8-one Formula: C19H15F2N5O2 MolecularWeight: 383.351506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=C(C=CC=C4F)F)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=C(C=CC=C4F)F)N

InChI

InChI=1S/C19H15F2N5O2/c1-28-12-5-2-4-11(8-12)26-17-16(9-23-18(22)24-17)25(19(26)27)10-13-14(20)6-3-7-15(13)21/h2-9H,10H2,1H3,(H2,22,23,24)