10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-3-(2-methylpyrimidin-5-yl)-10-oxidanylidene-decanoic acid

Systemtic Name: 10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-3-(2-methylpyrimidin-5-yl)-10-oxidanylidene-decanoic acid Openeye Name: 10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-3-(2-methylpyrimidin-5-yl)-10-oxo-decanoic acid CAS Name: 10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-3-(2-methyl-5-pyrimidinyl)-10-oxodecanoic acid IUPAC Name: 10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-3-(2-methylpyrimidin-5-yl)-10-oxodecanoic acid Traditional Name: 10-(6,8-diazaspiro[2.5]oct-6-en-7-ylamino)-10-keto-3-(2-methylpyrimidin-5-yl)capric acid Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCCCCCC(=O)NC2=NCCC3(N2)CC3)CC(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCC(=O)NC2=NCCC3(N2)CC3)CC(=O)O

InChI

InChI=1S/C21H31N5O3/c1-15-23-13-17(14-24-15)16(12-19(28)29)6-4-2-3-5-7-18(27)25-20-22-11-10-21(26-20)8-9-21/h13-14,16H,2-12H2,1H3,(H,28,29)(H2,22,25,26,27)