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

Systemtic Name: 2-(2-methylpyrimidin-5-yl)-10-oxidanylidene-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid Openeye Name: 2-(2-methylpyrimidin-5-yl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid CAS Name: 2-(2-methyl-5-pyrimidinyl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid IUPAC Name: 2-(2-methylpyrimidin-5-yl)-10-oxo-10-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)decanoic acid Traditional Name: 10-keto-2-(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(CCCCCCCC(=O)NC2=NCCCCN2)C(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCCC(=O)NC2=NCCCCN2)C(=O)O

InChI

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