N4-[5-(1-adamantyl)-1,2-oxazol-3-yl]-N2-(4,5-dimethoxy-2-methyl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[5-(1-adamantyl)-1,2-oxazol-3-yl]-N2-(4,5-dimethoxy-2-methyl-phenyl)pyrimidine-2,4-diamine Openeye Name: N4-[5-(1-adamantyl)isoxazol-3-yl]-N2-(4,5-dimethoxy-2-methyl-phenyl)pyrimidine-2,4-diamine CAS Name: N4-[5-(1-adamantyl)-3-isoxazolyl]-N2-(4,5-dimethoxy-2-methylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[5-(1-adamantyl)-1,2-oxazol-3-yl]-2-N-(4,5-dimethoxy-2-methylphenyl)pyrimidine-2,4-diamine Traditional Name: [5-(1-adamantyl)isoxazol-3-yl]-[2-(4,5-dimethoxy-2-methyl-anilino)pyrimidin-4-yl]amine Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=NOC(=C3)C45CC6CC(C4)CC(C6)C5)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=NOC(=C3)C45CC6CC(C4)CC(C6)C5)OC)OC

InChI

InChI=1S/C26H31N5O3/c1-15-6-20(32-2)21(33-3)10-19(15)28-25-27-5-4-23(30-25)29-24-11-22(34-31-24)26-12-16-7-17(13-26)9-18(8-16)14-26/h4-6,10-11,16-18H,7-9,12-14H2,1-3H3,(H2,27,28,29,30,31)