1-adamantyl-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazino]methanone Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H30N6O3/c29-20(22-10-14-7-15(11-22)9-16(8-14)12-22)26-3-5-27(6-4-26)21-23-13-18(28(30)31)19(25-21)24-17-1-2-17/h13-17H,1-12H2,(H,23,24,25)