3-[[5-nitro-2-[(4-oxidanylcyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol

Systemtic Name: 3-[[5-nitro-2-[(4-oxidanylcyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol Openeye Name: 3-[[2-[(4-hydroxycyclohexyl)amino]-5-nitro-pyrimidin-4-yl]amino]adamantan-1-ol CAS Name: 3-[[2-[(4-hydroxycyclohexyl)amino]-5-nitro-4-pyrimidinyl]amino]-1-adamantanol IUPAC Name: 3-[[2-[(4-hydroxycyclohexyl)amino]-5-nitropyrimidin-4-yl]amino]adamantan-1-ol Traditional Name: 3-[[2-[(4-hydroxycyclohexyl)amino]-5-nitro-pyrimidin-4-yl]amino]adamantan-1-ol Formula: C20H29N5O4 MolecularWeight: 403.47536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c26-15-3-1-14(2-4-15)22-18-21-10-16(25(28)29)17(23-18)24-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,21,22,23,24)