2-[2-[6-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-6-methyl-pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-[6-[2-(2-azanylethylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-6-methyl-pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[2-[6-[2-(2-aminoethylamino)-2-oxo-ethoxy]-2-naphthyl]-6-methyl-pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[2-[6-[2-(2-aminoethylamino)-2-oxoethoxy]-2-naphthalenyl]-6-methyl-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[2-[6-[2-(2-aminoethylamino)-2-oxoethoxy]naphthalen-2-yl]-6-methylpyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[2-[6-[2-(2-aminoethylamino)-2-keto-ethoxy]-2-naphthyl]-6-methyl-pyrimidin-4-yl]oxyacetic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCC(=O)NCCN)OCC(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCC(=O)NCCN)OCC(=O)O

InChI

InChI=1S/C21H22N4O5/c1-13-8-19(30-12-20(27)28)25-21(24-13)16-3-2-15-10-17(5-4-14(15)9-16)29-11-18(26)23-7-6-22/h2-5,8-10H,6-7,11-12,22H2,1H3,(H,23,26)(H,27,28)