N2,N4-bis[4-(1-adamantyl)phenyl]-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis[4-(1-adamantyl)phenyl]-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[4-(1-adamantyl)phenyl]-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis[4-(1-adamantyl)phenyl]-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis[4-(1-adamantyl)phenyl]-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-[4-(1-adamantyl)anilino]-5-fluoro-pyrimidin-4-yl]-[4-(1-adamantyl)phenyl]amine Formula: C36H41FN4 MolecularWeight: 548.735943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=NC(=NC=C5F)NC6=CC=C(C=C6)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=NC(=NC=C5F)NC6=CC=C(C=C6)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C36H41FN4/c37-32-21-38-34(40-31-7-3-29(4-8-31)36-18-25-12-26(19-36)14-27(13-25)20-36)41-33(32)39-30-5-1-28(2-6-30)35-15-22-9-23(16-35)11-24(10-22)17-35/h1-8,21-27H,9-20H2,(H2,38,39,40,41)