2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromanylnaphthalen-1-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromanylnaphthalen-1-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-bromo-1-naphthyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-bromo-1-naphthalenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-bromonaphthalen-1-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-bromo-1-naphthyl)acetamide Formula: C17H12BrN5OS MolecularWeight: 414.27908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H12BrN5OS/c18-13-5-6-14(12-4-2-1-3-11(12)13)22-15(24)9-25-17-21-8-10(7-19)16(20)23-17/h1-6,8H,9H2,(H,22,24)(H2,20,21,23)