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

Systemtic Name: 4-[2-(cyclohexylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(cyclohexylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(cyclohexylamino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(cyclohexylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCCCC3

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCCCC3

InChI

InChI=1S/C16H20N4O2/c1-10-8-18-16(19-12-5-3-2-4-6-12)20-14(10)11-7-13(15(21)22)17-9-11/h7-9,12,17H,2-6H2,1H3,(H,21,22)(H,18,19,20)