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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC(=N3)N)NC4=CC(=CC=C4)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC(=N3)N)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C28H30N6O2/c1-3-4-7-19-12-14-21(15-13-19)32-27(35)20-8-5-9-22(16-20)30-25-18-26(34-28(29)33-25)31-23-10-6-11-24(17-23)36-2/h5-6,8-18H,3-4,7H2,1-2H3,(H,32,35)(H4,29,30,31,33,34)