2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylazophenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C18H17N7OS MolecularWeight: 379.43888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H17N7OS/c19-15-10-16(20)23-18(22-15)27-11-17(26)21-12-6-8-14(9-7-12)25-24-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,26)(H4,19,20,22,23)