N4-(1-adamantyl)-N6-butyl-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N5O2/c1-2-3-4-19-16-15(23(24)25)17(21-11-20-16)22-18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,2-10H2,1H3,(H2,19,20,21,22)