3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-piperonyl-benzamide Formula: C26H24N6O4 MolecularWeight: 484.50656

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)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C26H24N6O4/c1-34-20-7-3-6-19(12-20)30-24-13-23(31-26(27)32-24)29-18-5-2-4-17(11-18)25(33)28-14-16-8-9-21-22(10-16)36-15-35-21/h2-13H,14-15H2,1H3,(H,28,33)(H4,27,29,30,31,32)