3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide

Systemtic Name: 3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide Openeye Name: N-(2-hydroxypropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(2-hydroxypropyl)-3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-hydroxypropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(2-hydroxypropyl)-3-[[6-(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=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC(C)O

InChI

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