N4-(1-adamantyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H32N6O2/c28-27(29)18-19(22-4-7-26-5-2-1-3-6-26)23-14-24-20(18)25-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,1-13H2,(H2,22,23,24,25)