10-oxidanylidene-3-quinoxalin-2-yl-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)decanoic acid

Systemtic Name: 10-oxidanylidene-3-quinoxalin-2-yl-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)decanoic acid Openeye Name: 10-oxo-3-quinoxalin-2-yl-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)decanoic acid CAS Name: 10-oxo-3-(2-quinoxalinyl)-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)decanoic acid IUPAC Name: 10-oxo-3-quinoxalin-2-yl-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)decanoic acid Traditional Name: 10-keto-3-quinoxalin-2-yl-10-(1,4,5,6-tetrahydropyrimidin-2-ylamino)capric acid Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC(=O)CCCCCCC(CC(=O)O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1CNC(=NC1)NC(=O)CCCCCCC(CC(=O)O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H29N5O3/c28-20(27-22-23-12-7-13-24-22)11-4-2-1-3-8-16(14-21(29)30)19-15-25-17-9-5-6-10-18(17)26-19/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,29,30)(H2,23,24,27,28)