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

Systemtic Name: (2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[(4,6-diamino-2-pyrimidinyl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[(4,6-diaminopyrimidin-2-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H19N5OS/c17-12-10-13(18)20-16(19-12)23-14(11-6-2-1-3-7-11)15(22)21-8-4-5-9-21/h1-3,6-7,10,14H,4-5,8-9H2,(H4,17,18,19,20)/t14-/m1/s1