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

Systemtic Name: N5-(tert-butylperoxymethyl)-8-chloranyl-N5-methyl-pyrimido[4,5-b]quinoline-2,4,5-triamine Openeye Name: N5-(tert-butylperoxymethyl)-8-chloro-N5-methyl-pyrimido[4,5-b]quinoline-2,4,5-triamine CAS Name: N5-(tert-butyldioxymethyl)-8-chloro-N5-methylpyrimido[4,5-b]quinoline-2,4,5-triamine IUPAC Name: 5-N-(tert-butylperoxymethyl)-8-chloro-5-N-methylpyrimido[4,5-b]quinoline-2,4,5-triamine Traditional Name: tert-butylperoxymethyl-(2,4-diamino-8-chloro-pyrimido[4,5-b]quinolin-5-yl)-methyl-amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O2/c1-17(2,3)26-25-8-24(4)13-10-6-5-9(18)7-11(10)21-15-12(13)14(19)22-16(20)23-15/h5-7H,8H2,1-4H3,(H4,19,20,21,22,23)