5-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(1,3-benzothiazol-2-ylmethylthio)-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(1,3-benzothiazol-2-ylmethylthio)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC4=CC=CC=C4S3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC4=CC=CC=C4S3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H21N5O2S2/c1-20(2,3)18-22-15-14(17(26)25(5)19(27)24(15)4)16(23-18)28-10-13-21-11-8-6-7-9-12(11)29-13/h6-9H,10H2,1-5H3