4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-3-[(1-methyl-4-piperidyl)sulfanyl]isoxazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-[(1-methyl-4-piperidinyl)thio]-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-3-[(1-methyl-4-piperidyl)thio]isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SC2CCN(CC2)C)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)SC2CCN(CC2)C)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-14-18(19(24-26-14)27-16-9-12-25(2)13-10-16)17-8-11-21-20(23-17)22-15-6-4-3-5-7-15/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,21,22,23)