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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[[4-(morpholinomethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[[4-(4-morpholinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-(morpholinomethyl)benzyl]acetamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H22N6O2S/c20-9-16-11-23-19(24-18(16)21)28-13-17(26)22-10-14-1-3-15(4-2-14)12-25-5-7-27-8-6-25/h1-4,11H,5-8,10,12-13H2,(H,22,26)(H2,21,23,24)