azocan-1-yl-[3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]methanone

Systemtic Name: azocan-1-yl-[3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]methanone Openeye Name: azocan-1-yl-[3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]phenyl]methanone CAS Name: 1-azocanyl-[3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]phenyl]methanone IUPAC Name: azocan-1-yl-[3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]phenyl]methanone Traditional Name: azocan-1-yl-[3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]phenyl]methanone Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N4CCCCCCC4

InChI

InChI=1S/C26H31N5O/c1-20-10-8-13-23(16-20)30(2)25-18-24(27-19-28-25)29-22-12-9-11-21(17-22)26(32)31-14-6-4-3-5-7-15-31/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,27,28,29)