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

Systemtic Name: 2-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]carbamoyl]benzoic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N4O6/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/h4-7,9-11H,8H2,1-3H3,(H,28,29)(H3,23,24,25,26,27)