4-(3-heptylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-(3-heptylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-heptylsulfanyl-5-methyl-isoxazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(heptylthio)-5-methyl-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-heptylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(heptylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4OS/c1-3-4-5-6-10-15-27-20-19(16(2)26-25-20)18-13-14-22-21(24-18)23-17-11-8-7-9-12-17/h7-9,11-14H,3-6,10,15H2,1-2H3,(H,22,23,24)