N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: 3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-piperonyl-benzamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N5O3/c1-17-4-2-6-20(12-17)30-26-27-11-10-24(31-26)29-21-7-3-5-19(14-21)25(32)28-15-18-8-9-22-23(13-18)34-16-33-22/h2-14H,15-16H2,1H3,(H,28,32)(H2,27,29,30,31)