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N6-(3-methylbutyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

N6-(3-methylbutyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name:N6-(3-methylbutyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine
Openeye Name:N6-isopentyl-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine
CAS Name:N6-(3-methylbutyl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine
IUPAC Name:6-N-(3-methylbutyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
Traditional Name:isoamyl-[5-nitro-6-(8-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=C2N=CC=C3


Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3


InChI

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


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