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

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-benzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-benzyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O2/c27-26(28)18-19(22-12-14-4-2-1-3-5-14)23-13-24-20(18)25-21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,13,15-17H,6-12H2,(H2,22,23,24,25)