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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCC(CC3)O

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3CCC(CC3)O

InChI

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