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

Systemtic Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C21H19N7OS/c29-20(15-2-1-6-22-13-15)27-8-10-28(11-9-27)21-23-7-5-19(26-21)25-16-3-4-17-18(12-16)30-14-24-17/h1-7,12-14H,8-11H2,(H,23,25,26)