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

Systemtic Name: 4-[5-methyl-2-[(2-oxidanylcyclohexyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[(2-hydroxycyclohexyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[(2-hydroxycyclohexyl)amino]-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[(2-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-[(2-hydroxycyclohexyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCCCC3O

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCCCC3O

InChI

InChI=1S/C16H20N4O3/c1-9-7-18-16(19-11-4-2-3-5-13(11)21)20-14(9)10-6-12(15(22)23)17-8-10/h6-8,11,13,17,21H,2-5H2,1H3,(H,22,23)(H,18,19,20)