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

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: 1-adamantyl-(6-anilino-5-nitro-pyrimidin-4-yl)amine Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC=C5

InChI

InChI=1S/C20H23N5O2/c26-25(27)17-18(23-16-4-2-1-3-5-16)21-12-22-19(17)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H2,21,22,23,24)