4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=C4C(=CC=C3)OCCO4

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C18H16N4O4/c1-10-8-20-18(22-15(10)11-7-13(17(23)24)19-9-11)21-12-3-2-4-14-16(12)26-6-5-25-14/h2-4,7-9,19H,5-6H2,1H3,(H,23,24)(H,20,21,22)