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

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C24H24N6O2S MolecularWeight: 460.55136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4)N

InChI

InChI=1S/C24H24N6O2S/c1-32-19-8-3-7-18(14-19)28-22-15-21(29-24(25)30-22)27-17-6-2-5-16(13-17)23(31)26-11-10-20-9-4-12-33-20/h2-9,12-15H,10-11H2,1H3,(H,26,31)(H4,25,27,28,29,30)