2-azanyl-4-methoxy-N-[8-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide

Systemtic Name: 2-azanyl-4-methoxy-N-[8-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Openeye Name: 2-amino-4-methoxy-N-[8-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide CAS Name: 2-amino-4-methoxy-N-[8-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-pyrimidinecarboxamide IUPAC Name: 2-amino-4-methoxy-N-[8-[(3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Traditional Name: 2-amino-4-methoxy-N-[8-(3-nitrobenzyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C20H24N6O4/c1-30-19-17(10-22-20(21)24-19)18(27)23-13-8-14-5-6-15(9-13)25(14)11-12-3-2-4-16(7-12)26(28)29/h2-4,7,10,13-15H,5-6,8-9,11H2,1H3,(H,23,27)(H2,21,22,24)