2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[2-(4-mesylpiperazino)phenyl]acetamide Formula: C18H21N7O3S2 MolecularWeight: 447.53444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H21N7O3S2/c1-30(27,28)25-8-6-24(7-9-25)15-5-3-2-4-14(15)22-16(26)12-29-18-21-11-13(10-19)17(20)23-18/h2-5,11H,6-9,12H2,1H3,(H,22,26)(H2,20,21,23)