2-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H28N4O6 MolecularWeight: 444.48092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C22H28N4O6/c1-30-16-9-12(10-17(31-2)18(16)32-3)8-13-11-24-22(25-19(13)23)26-20(27)14-6-4-5-7-15(14)21(28)29/h9-11,14-15H,4-8H2,1-3H3,(H,28,29)(H3,23,24,25,26,27)