N-(4-butylphenyl)-3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(4-butylphenyl)-3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(4-butylphenyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(4-butylphenyl)-3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(4-butylphenyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(4-butylphenyl)-3-[[6-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C28H29N5O MolecularWeight: 451.56276

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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)NC4=CC=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O/c1-3-4-8-21-12-14-23(15-13-21)33-28(34)22-9-6-11-25(17-22)32-27-18-26(29-19-30-27)31-24-10-5-7-20(2)16-24/h5-7,9-19H,3-4,8H2,1-2H3,(H,33,34)(H2,29,30,31,32)