5-nitro-N-phenethyl-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-phenethyl-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-phenethyl-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-phenethyl-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-phenethyl-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)pyrimidin-4-yl]-phenethyl-amine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H29N5O2/c1-21(2)11-17-12-22(3,13-21)14-26(17)20-18(27(28)29)19(24-15-25-20)23-10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,23,24,25)