N4-(5-methyl-1,2-oxazol-3-yl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C17H14N6OS/c1-10-8-13(23-24-10)22-16-14(18)17(21-9-20-16)25-12-6-2-4-11-5-3-7-19-15(11)12/h2-9H,18H2,1H3,(H,20,21,22,23)