9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethylpyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethylpyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2-ethyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethylpyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-ethylpyrimidin-5-yl)pelargonic acid Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C(CCCCCCCC2=CC(=NC(=N2)NCC)N)C(=O)O

Isomeric SMILES

CCC1=NC=C(C=N1)C(CCCCCCCC2=CC(=NC(=N2)NCC)N)C(=O)O

InChI

InChI=1S/C21H32N6O2/c1-3-19-24-13-15(14-25-19)17(20(28)29)11-9-7-5-6-8-10-16-12-18(22)27-21(26-16)23-4-2/h12-14,17H,3-11H2,1-2H3,(H,28,29)(H3,22,23,26,27)