N-(1-adamantylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantylmethyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantylmethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H30N6O2/c1-24-2-4-25(5-3-24)19-17(26(27)28)18(22-13-23-19)21-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,2-12H2,1H3,(H,21,22,23)