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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC(=CS2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC(=CS2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C)C

InChI

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