3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-[3-(methylthio)phenyl]benzamide Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)SC)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)SC)N

InChI

InChI=1S/C25H24N6O2S/c1-33-20-10-4-8-18(13-20)28-23-15-22(30-25(26)31-23)27-17-7-3-6-16(12-17)24(32)29-19-9-5-11-21(14-19)34-2/h3-15H,1-2H3,(H,29,32)(H4,26,27,28,30,31)