2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C18H21N6O2S+ MolecularWeight: 385.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H20N6O2S/c19-9-14-10-21-18(23-17(14)20)27-12-16(25)22-15-3-1-13(2-4-15)11-24-5-7-26-8-6-24/h1-4,10H,5-8,11-12H2,(H,22,25)(H2,20,21,23)/p+1