1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methyl-3-oxidanyl-butan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methyl-3-oxidanyl-butan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-hydroxy-3-methyl-butan-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-3-hydroxy-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-3-hydroxy-3-methyl-butan-1-one Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)O

InChI

InChI=1S/C20H24N6O2S/c1-20(2,28)12-18(27)25-7-9-26(10-8-25)19-21-6-5-17(24-19)23-14-3-4-15-16(11-14)29-13-22-15/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,21,23,24)