N5-(tert-butylperoxymethyl)-8-chloranyl-N5-ethyl-pyrimido[4,5-b]quinoline-2,4,5-triamine

Systemtic Name: N5-(tert-butylperoxymethyl)-8-chloranyl-N5-ethyl-pyrimido[4,5-b]quinoline-2,4,5-triamine Openeye Name: N5-(tert-butylperoxymethyl)-8-chloro-N5-ethyl-pyrimido[4,5-b]quinoline-2,4,5-triamine CAS Name: N5-(tert-butyldioxymethyl)-8-chloro-N5-ethylpyrimido[4,5-b]quinoline-2,4,5-triamine IUPAC Name: 5-N-(tert-butylperoxymethyl)-8-chloro-5-N-ethylpyrimido[4,5-b]quinoline-2,4,5-triamine Traditional Name: tert-butylperoxymethyl-(2,4-diamino-8-chloro-pyrimido[4,5-b]quinolin-5-yl)-ethyl-amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(COOC(C)(C)C)C1=C2C(=NC(=NC2=NC3=C1C=CC(=C3)Cl)N)N

Isomeric SMILES

CCN(COOC(C)(C)C)C1=C2C(=NC(=NC2=NC3=C1C=CC(=C3)Cl)N)N

InChI

InChI=1S/C18H23ClN6O2/c1-5-25(9-26-27-18(2,3)4)14-11-7-6-10(19)8-12(11)22-16-13(14)15(20)23-17(21)24-16/h6-8H,5,9H2,1-4H3,(H4,20,21,22,23,24)