3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H27N5O3S/c1-22(2,3)21-23-15(14-31-21)12-25-8-10-26(11-9-25)18(28)13-27-20(30)17-7-5-4-6-16(17)19(29)24-27/h4-7,14H,8-13H2,1-3H3,(H,24,29)