3-[[4-[(3-methyl-5-oxidanyl-phenyl)amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-[(3-methyl-5-oxidanyl-phenyl)amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-(3-hydroxy-5-methyl-anilino)pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-(3-hydroxy-5-methylanilino)-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-(3-hydroxy-5-methylanilino)pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-(3-hydroxy-5-methyl-anilino)pyrimidin-2-yl]amino]benzamide Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2/c1-11-7-14(10-15(24)8-11)21-16-5-6-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)