(1R,5S)-8-methyl-3-(4-pyrimidin-5-ylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane

Systemtic Name: (1R,5S)-8-methyl-3-(4-pyrimidin-5-ylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane Openeye Name: (1R,5S)-8-methyl-3-(4-pyrimidin-5-ylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane CAS Name: (1R,5S)-8-methyl-3-[[4-(5-pyrimidinyl)phenyl]thio]-8-azabicyclo[3.2.1]octane IUPAC Name: (1R,5S)-8-methyl-3-(4-pyrimidin-5-ylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane Traditional Name: (1R,5S)-8-methyl-3-[[4-(5-pyrimidyl)phenyl]thio]-8-azabicyclo[3.2.1]octane Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)SC3=CC=C(C=C3)C4=CN=CN=C4

Isomeric SMILES

CN1[C@@H]2CC[C@H]1CC(C2)SC3=CC=C(C=C3)C4=CN=CN=C4

InChI

InChI=1S/C18H21N3S/c1-21-15-4-5-16(21)9-18(8-15)22-17-6-2-13(3-7-17)14-10-19-12-20-11-14/h2-3,6-7,10-12,15-16,18H,4-5,8-9H2,1H3/t15-,16+,18?