N6-(3-methylbutyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C18H20N6O2/c1-12(2)8-10-20-17-16(24(25)26)18(22-11-21-17)23-15-7-3-6-14-13(15)5-4-9-19-14/h3-7,9,11-12H,8,10H2,1-2H3,(H2,20,21,22,23)