methyl 2-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3=CN=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3=CN=CC=C3

InChI

InChI=1S/C19H20N6O2/c1-25(15-8-4-3-7-14(15)19(26)27-2)18-16(20)17(23-12-24-18)22-11-13-6-5-9-21-10-13/h3-10,12H,11,20H2,1-2H3,(H,22,23,24)