4-[5-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[5-methyl-2-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(2-oxolanylmethylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[5-methyl-2-(tetrahydrofurfurylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NCC3CCCO3

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NCC3CCCO3

InChI

InChI=1S/C15H18N4O3/c1-9-6-17-15(18-8-11-3-2-4-22-11)19-13(9)10-5-12(14(20)21)16-7-10/h5-7,11,16H,2-4,8H2,1H3,(H,20,21)(H,17,18,19)