methyl 4-[[5-azanyl-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-azanyl-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-[(6-methyl-2-pyridinyl)amino]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N6O2/c1-11-4-3-5-14(22-11)24-17-15(19)16(20-10-21-17)23-13-8-6-12(7-9-13)18(25)26-2/h3-10H,19H2,1-2H3,(H2,20,21,22,23,24)