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

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H25N5O2/c1-2-3-18-15-14(22(23)24)16(20-10-19-15)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,2-9H2,1H3,(H2,18,19,20,21)