9-[6-azanyl-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-azanyl-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-5-cyclopropyl-2-(methylamino)-4-pyrimidinyl]-3-(2-methoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)pelargonic acid Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=N1)N)C2CC2)CCCCCCC(CC(=O)O)C3=CN=C(N=C3)OC

Isomeric SMILES

CNC1=NC(=C(C(=N1)N)C2CC2)CCCCCCC(CC(=O)O)C3=CN=C(N=C3)OC

InChI

InChI=1S/C22H32N6O3/c1-24-21-27-17(19(14-9-10-14)20(23)28-21)8-6-4-3-5-7-15(11-18(29)30)16-12-25-22(31-2)26-13-16/h12-15H,3-11H2,1-2H3,(H,29,30)(H3,23,24,27,28)