N-(1-azabicyclo[2.2.2]octan-3-yl)-2-azanyl-4-methoxy-pyrimidine-5-carboxamide hydrate

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-azanyl-4-methoxy-pyrimidine-5-carboxamide hydrate Openeye Name: 2-amino-4-methoxy-N-quinuclidin-3-yl-pyrimidine-5-carboxamide hydrate CAS Name: 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-pyrimidinecarboxamide hydrate IUPAC Name: 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxypyrimidine-5-carboxamide hydrate Traditional Name: 2-amino-4-methoxy-N-quinuclidin-3-yl-pyrimidine-5-carboxamide hydrate Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)NC2CN3CCC2CC3)N.O

Isomeric SMILES

COC1=NC(=NC=C1C(=O)NC2CN3CCC2CC3)N.O

InChI

InChI=1S/C13H19N5O2.H2O/c1-20-12-9(6-15-13(14)17-12)11(19)16-10-7-18-4-2-8(10)3-5-18;/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H2,14,15,17);1H2