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

Systemtic Name: methyl 3-methyl-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-methyl-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoate CAS Name: 3-methyl-4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-methyl-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H19N5O2/c1-14-11-16(21(28)29-2)7-8-18(14)26-22-23-10-9-20(27-22)25-17-12-15-5-3-4-6-19(15)24-13-17/h3-13H,1-2H3,(H2,23,25,26,27)