N4-(1-adamantyl)-N6-butan-2-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-butan-2-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-butan-2-yl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N5O2/c1-3-11(2)21-16-15(23(24)25)17(20-10-19-16)22-18-7-12-4-13(8-18)6-14(5-12)9-18/h10-14H,3-9H2,1-2H3,(H2,19,20,21,22)