2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[3-(2-ketopyrrolidino)phenyl]acetamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H18N6O2S/c17-12-8-13(18)21-16(20-12)25-9-14(23)19-10-3-1-4-11(7-10)22-6-2-5-15(22)24/h1,3-4,7-8H,2,5-6,9H2,(H,19,23)(H4,17,18,20,21)