2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-chloro-5-piperidinosulfonyl-phenyl)acetamide Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4S2/c18-12-5-4-11(29(26,27)23-6-2-1-3-7-23)8-13(12)20-16(25)10-28-17-21-14(19)9-15(24)22-17/h4-5,8-9H,1-3,6-7,10H2,(H,20,25)(H3,19,21,22,24)