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

Systemtic Name: (3S)-9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Openeye Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid CAS Name: (3S)-9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-3-(2-methoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Traditional Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(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)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OC

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCCCC[C@@H](CC(=O)O)C2=CN=C(N=C2)OC

InChI

InChI=1S/C20H30N6O3/c1-3-22-19-25-16(11-17(21)26-19)9-7-5-4-6-8-14(10-18(27)28)15-12-23-20(29-2)24-13-15/h11-14H,3-10H2,1-2H3,(H,27,28)(H3,21,22,25,26)/t14-/m0/s1