[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-methylcyclohexyl)methanone

Systemtic Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-methylcyclohexyl)methanone Openeye Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-methylcyclohexyl)methanone CAS Name: [4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-(3-methylcyclohexyl)methanone IUPAC Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-methylcyclohexyl)methanone Traditional Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-(3-methylcyclohexyl)methanone Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C(=O)N2CCN(CC2)C3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1CCCC(C1)C(=O)N2CCN(CC2)C3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H28N6OS/c1-16-3-2-4-17(13-16)22(30)28-9-11-29(12-10-28)23-24-8-7-21(27-23)26-18-5-6-19-20(14-18)31-15-25-19/h5-8,14-17H,2-4,9-13H2,1H3,(H,24,26,27)