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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C17H22N6O3S2 MolecularWeight: 422.52498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6O3S2/c18-14-10-15(19)22-17(21-14)27-11-16(24)20-12-5-4-6-13(9-12)28(25,26)23-7-2-1-3-8-23/h4-6,9-10H,1-3,7-8,11H2,(H,20,24)(H4,18,19,21,22)