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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N4O4/c1-9-6-19-17(20-11-2-3-13-14(5-11)25-8-24-13)21-15(9)10-4-12(16(22)23)18-7-10/h2-7,18H,8H2,1H3,(H,22,23)(H,19,20,21)