N4-(1-adamantyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2/c26-25(27)16-17(23-15-2-1-3-20-10-15)21-11-22-18(16)24-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,10-14H,4-9H2,(H2,21,22,23,24)