4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H19N5O3/c17-13-14(18-8-12-2-1-7-24-12)19-9-20-15(13)21-11-5-3-10(4-6-11)16(22)23/h3-6,9,12H,1-2,7-8,17H2,(H,22,23)(H2,18,19,20,21)