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

Systemtic Name: methyl 2-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3CCCO3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3CCCO3

InChI

InChI=1S/C18H23N5O3/c1-23(14-8-4-3-7-13(14)18(24)25-2)17-15(19)16(21-11-22-17)20-10-12-6-5-9-26-12/h3-4,7-8,11-12H,5-6,9-10,19H2,1-2H3,(H,20,21,22)