3-(2-methylpyrimidin-5-yl)-10-oxidanylidene-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid

Systemtic Name: 3-(2-methylpyrimidin-5-yl)-10-oxidanylidene-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid Openeye Name: 3-(2-methylpyrimidin-5-yl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid CAS Name: 3-(2-methyl-5-pyrimidinyl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid IUPAC Name: 3-(2-methylpyrimidin-5-yl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid Traditional Name: 10-keto-3-(2-methylpyrimidin-5-yl)-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)capric acid Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCCCCCC(=O)NC2=NCCCCN2)CC(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCC(=O)NC2=NCCCCN2)CC(=O)O

InChI

InChI=1S/C20H31N5O3/c1-15-23-13-17(14-24-15)16(12-19(27)28)8-4-2-3-5-9-18(26)25-20-21-10-6-7-11-22-20/h13-14,16H,2-12H2,1H3,(H,27,28)(H2,21,22,25,26)