2-azanyl-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide

Systemtic Name: 2-azanyl-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Openeye Name: 2-amino-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide CAS Name: 2-amino-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-pyrimidinecarboxamide IUPAC Name: 2-amino-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Traditional Name: 2-amino-4-methoxy-N-[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CCC4=CC=CC=C4)N

Isomeric SMILES

COC1=NC(=NC=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCC4=CC=CC=C4)N

InChI

InChI=1S/C21H27N5O2/c1-28-20-18(13-23-21(22)25-20)19(27)24-15-11-16-7-8-17(12-15)26(16)10-9-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,24,27)(H2,22,23,25)/t15?,16-,17+