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

Systemtic Name: 9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-2-(2-methoxypyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-methoxypyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-2-(2-methoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-methoxypyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-2-(2-methoxypyrimidin-5-yl)pelargonic acid Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O3/c1-3-22-19-25-15(11-17(21)26-19)9-7-5-4-6-8-10-16(18(27)28)14-12-23-20(29-2)24-13-14/h11-13,16H,3-10H2,1-2H3,(H,27,28)(H3,21,22,25,26)