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

Systemtic Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone Openeye Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(3-furyl)methanone CAS Name: [4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone IUPAC Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone Traditional Name: [4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-(3-furyl)methanone Formula: C20H18N6O2S MolecularWeight: 406.46092

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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=COC=C5

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S/c27-19(14-4-10-28-12-14)25-6-8-26(9-7-25)20-21-5-3-18(24-20)23-15-1-2-16-17(11-15)29-13-22-16/h1-5,10-13H,6-9H2,(H,21,23,24)