2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: 2-methoxy-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide CAS Name: 2-methoxy-4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzamide IUPAC Name: 2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: 2-methoxy-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)C(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)C(=O)N

InChI

InChI=1S/C21H18N6O2/c1-29-18-11-14(6-7-16(18)20(22)28)26-21-23-9-8-19(27-21)25-15-10-13-4-2-3-5-17(13)24-12-15/h2-12H,1H3,(H2,22,28)(H2,23,25,26,27)