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

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methyl-3-oxidanyl-pentan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-hydroxy-3-methyl-pentan-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-3-hydroxy-3-methyl-1-pentanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-hydroxy-3-methylpentan-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-3-hydroxy-3-methyl-pentan-1-one Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2S/c1-3-21(2,29)13-19(28)26-8-10-27(11-9-26)20-22-7-6-18(25-20)24-15-4-5-16-17(12-15)30-14-23-16/h4-7,12,14,29H,3,8-11,13H2,1-2H3,(H,22,24,25)