methyl 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H17N5O2/c1-28-20(27)15-6-4-7-16(12-15)25-21-22-10-9-19(26-21)24-17-11-14-5-2-3-8-18(14)23-13-17/h2-13H,1H3,(H2,22,24,25,26)