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

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-2-methyl-butan-1-one Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6OS/c1-3-14(2)19(27)25-8-10-26(11-9-25)20-21-7-6-18(24-20)23-15-4-5-16-17(12-15)28-13-22-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,23,24)