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

Systemtic Name: 3-[[4-[[5-(aminomethyl)-2-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-[5-(aminomethyl)-2-methyl-anilino]pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-[5-(aminomethyl)-2-methylanilino]-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-[5-(aminomethyl)-2-methylanilino]pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-[5-(aminomethyl)-2-methyl-anilino]pyrimidin-2-yl]amino]benzamide Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O/c1-12-5-6-13(11-20)9-16(12)24-17-7-8-22-19(25-17)23-15-4-2-3-14(10-15)18(21)26/h2-10H,11,20H2,1H3,(H2,21,26)(H2,22,23,24,25)