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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H20N6O3S2/c17-13-9-14(18)21-16(20-13)26-10-15(23)19-11-4-3-5-12(8-11)27(24,25)22-6-1-2-7-22/h3-5,8-9H,1-2,6-7,10H2,(H,19,23)(H4,17,18,20,21)