3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-(2-piperidinoethyl)benzamide Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCN4CCCCC4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCN4CCCCC4)N

InChI

InChI=1S/C25H31N7O2/c1-34-21-10-6-9-20(16-21)29-23-17-22(30-25(26)31-23)28-19-8-5-7-18(15-19)24(33)27-11-14-32-12-3-2-4-13-32/h5-10,15-17H,2-4,11-14H2,1H3,(H,27,33)(H4,26,28,29,30,31)