N-(1-adamantyl)-6-(azepan-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(azepan-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(azepan-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(1-azepanyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(azepan-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O2/c26-25(27)17-18(21-13-22-19(17)24-5-3-1-2-4-6-24)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2,(H,21,22,23)