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

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-methanoylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-formylpyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2-formyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-formylpyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-formylpyrimidin-5-yl)pelargonic acid Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)N)CCCCCCCC(C2=CN=C(N=C2)C=O)C(=O)O

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCCCCCC(C2=CN=C(N=C2)C=O)C(=O)O

InChI

InChI=1S/C20H28N6O3/c1-2-22-20-25-15(10-17(21)26-20)8-6-4-3-5-7-9-16(19(28)29)14-11-23-18(13-27)24-12-14/h10-13,16H,2-9H2,1H3,(H,28,29)(H3,21,22,25,26)