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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C17H21ClN6O3S2 MolecularWeight: 456.97004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O3S2/c18-12-5-4-11(29(26,27)24-6-2-1-3-7-24)8-13(12)21-16(25)10-28-17-22-14(19)9-15(20)23-17/h4-5,8-9H,1-3,6-7,10H2,(H,21,25)(H4,19,20,22,23)