3-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C20H20N8O2S MolecularWeight: 436.4902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C20H20N8O2S/c29-18-4-3-15(25-26-18)19(30)27-7-9-28(10-8-27)20-21-6-5-17(24-20)23-13-1-2-14-16(11-13)31-12-22-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,26,29)(H,21,23,24)