2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(1,3-benzoxazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(1,3-benzoxazol-2-yl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(1,3-benzoxazol-2-yl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[3-(1,3-benzoxazol-2-yl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[3-(1,3-benzoxazol-2-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[3-(1,3-benzoxazol-2-yl)phenyl]acetamide Formula: C20H14N6O2S MolecularWeight: 402.42916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C20H14N6O2S/c21-9-13-10-23-20(26-18(13)22)29-11-17(27)24-14-5-3-4-12(8-14)19-25-15-6-1-2-7-16(15)28-19/h1-8,10H,11H2,(H,24,27)(H2,22,23,26)