N-(3,5-dimethylphenyl)-4-[4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine

Systemtic Name: N-(3,5-dimethylphenyl)-4-[4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine Openeye Name: N-(3,5-dimethylphenyl)-4-[4-[(4-ethylpiperazin-1-yl)methyl]thiazol-2-yl]pyrimidin-2-amine CAS Name: N-(3,5-dimethylphenyl)-4-[4-[(4-ethyl-1-piperazinyl)methyl]-2-thiazolyl]-2-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-4-[4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine Traditional Name: (3,5-dimethylphenyl)-[4-[4-[(4-ethylpiperazino)methyl]thiazol-2-yl]pyrimidin-2-yl]amine Formula: C22H28N6S MolecularWeight: 408.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CSC(=N2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=CSC(=N2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C22H28N6S/c1-4-27-7-9-28(10-8-27)14-19-15-29-21(24-19)20-5-6-23-22(26-20)25-18-12-16(2)11-17(3)13-18/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,23,25,26)