3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-(4-phenylbutyl)benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4)N

InChI

InChI=1S/C28H30N6O2/c1-36-24-15-8-14-23(18-24)32-26-19-25(33-28(29)34-26)31-22-13-7-12-21(17-22)27(35)30-16-6-5-11-20-9-3-2-4-10-20/h2-4,7-10,12-15,17-19H,5-6,11,16H2,1H3,(H,30,35)(H4,29,31,32,33,34)