4-[[4-(1-adamantylamino)-5-nitro-pyrimidin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-(1-adamantylamino)-5-nitro-pyrimidin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-(1-adamantylamino)-5-nitro-pyrimidin-2-yl]amino]cyclohexanol CAS Name: 4-[[4-(1-adamantylamino)-5-nitro-2-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-(1-adamantylamino)-5-nitropyrimidin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-(1-adamantylamino)-5-nitro-pyrimidin-2-yl]amino]cyclohexanol Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C(C(=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1NC2=NC=C(C(=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H29N5O3/c26-16-3-1-15(2-4-16)22-19-21-11-17(25(27)28)18(23-19)24-20-8-12-5-13(9-20)7-14(6-12)10-20/h11-16,26H,1-10H2,(H2,21,22,23,24)