5-chloranyl-N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[4-[[4-(ethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methoxy-benzamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H22ClN5O2/c1-4-23-19-11-13(2)24-21(27-19)26-16-8-6-15(7-9-16)25-20(28)17-12-14(22)5-10-18(17)29-3/h5-12H,4H2,1-3H3,(H,25,28)(H2,23,24,26,27)