dimethyl 5-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N)C(=O)OC

InChI

InChI=1S/C19H23N5O5/c1-27-18(25)11-6-12(19(26)28-2)8-13(7-11)24-17-15(20)16(22-10-23-17)21-9-14-4-3-5-29-14/h6-8,10,14H,3-5,9,20H2,1-2H3,(H2,21,22,23,24)