(2E)-6-(2-azanylethoxy)-2-(6-oxidanylidenenaphthalen-2-ylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride

Systemtic Name: (2E)-6-(2-azanylethoxy)-2-(6-oxidanylidenenaphthalen-2-ylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride Openeye Name: (2E)-6-(2-aminoethoxy)-2-(6-oxo-2-naphthylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride CAS Name: (2E)-6-(2-aminoethoxy)-2-(6-oxo-2-naphthalenylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride IUPAC Name: (2E)-6-(2-aminoethoxy)-2-(6-oxonaphthalen-2-ylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride Traditional Name: (2E)-6-(2-aminoethoxy)-2-(6-keto-2-naphthylidene)-1H-pyrimidine-5-carboxylic acid dihydrochloride Formula: C17H17Cl2N3O4 MolecularWeight: 398.24058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC(=C(C=N2)C(=O)O)OCCN)C=C3C1=CC(=O)C=C3.Cl.Cl

Isomeric SMILES

C1=C/C(=C\2/NC(=C(C=N2)C(=O)O)OCCN)/C=C3C1=CC(=O)C=C3.Cl.Cl

InChI

InChI=1S/C17H15N3O4.2ClH/c18-5-6-24-16-14(17(22)23)9-19-15(20-16)12-2-1-11-8-13(21)4-3-10(11)7-12;;/h1-4,7-9,20H,5-6,18H2,(H,22,23);2*1H/b15-12-;;