[4-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2-adamantylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2-adamantylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2-adamantylamino)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)C6=CC=CO6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)C6=CC=CO6

InChI

InChI=1S/C23H28N6O4/c30-23(18-2-1-7-33-18)28-5-3-27(4-6-28)22-20(29(31)32)21(24-13-25-22)26-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-2,7,13-17,19H,3-6,8-12H2,(H,24,25,26)