2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(3-phenylisoxazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(3-phenyl-5-isoxazolyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3-phenylisoxazol-5-yl)methylthio]pyrimidin-4-yl]amine Formula: C14H13N5OS MolecularWeight: 299.35092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H13N5OS/c15-12-7-13(16)18-14(17-12)21-8-10-6-11(19-20-10)9-4-2-1-3-5-9/h1-7H,8H2,(H4,15,16,17,18)