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

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-3-methyl-but-2-en-1-one Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c1-14(2)11-19(27)25-7-9-26(10-8-25)20-21-6-5-18(24-20)23-15-3-4-16-17(12-15)28-13-22-16/h3-6,11-13H,7-10H2,1-2H3,(H,21,23,24)