9-[2-azanyl-6-(ethylamino)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[2-azanyl-6-(ethylamino)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid CAS Name: 9-[2-amino-6-(ethylamino)-4-pyrimidinyl]-3-(2-methyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid Traditional Name: 9-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)pelargonic acid Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)C)N

Isomeric SMILES

CCNC1=NC(=NC(=C1)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)C)N

InChI

InChI=1S/C20H30N6O2/c1-3-22-18-11-17(25-20(21)26-18)9-7-5-4-6-8-15(10-19(27)28)16-12-23-14(2)24-13-16/h11-13,15H,3-10H2,1-2H3,(H,27,28)(H3,21,22,25,26)