3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide Openeye Name: N-(2-hydroxypropyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(2-hydroxypropyl)-3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-hydroxypropyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(2-hydroxypropyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCC(C)O

InChI

InChI=1S/C21H23N5O2/c1-14-5-3-7-17(11-14)25-21-22-10-9-19(26-21)24-18-8-4-6-16(12-18)20(28)23-13-15(2)27/h3-12,15,27H,13H2,1-2H3,(H,23,28)(H2,22,24,25,26)