6-[3,5-bis(fluoranyl)phenyl]-8-cyclopropyl-2-[(3-methoxyphenyl)amino]pteridin-7-one

Systemtic Name: 6-[3,5-bis(fluoranyl)phenyl]-8-cyclopropyl-2-[(3-methoxyphenyl)amino]pteridin-7-one Openeye Name: 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one CAS Name: 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)-7-pteridinone IUPAC Name: 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one Traditional Name: 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(m-anisidino)pteridin-7-one Formula: C22H17F2N5O2 MolecularWeight: 421.399486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)C5CC5

InChI

InChI=1S/C22H17F2N5O2/c1-31-17-4-2-3-15(10-17)26-22-25-11-18-20(28-22)29(16-5-6-16)21(30)19(27-18)12-7-13(23)9-14(24)8-12/h2-4,7-11,16H,5-6H2,1H3,(H,25,26,28)