(2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[(4,6-diamino-2-pyrimidinyl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[(4,6-diaminopyrimidin-2-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H21N5OS/c18-13-11-14(19)21-17(20-13)24-15(12-7-3-1-4-8-12)16(23)22-9-5-2-6-10-22/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H4,18,19,20,21)/t15-/m1/s1