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

Systemtic Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(1,3-benzoxazol-2-ylmethylthio)-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(1,3-benzoxazol-2-ylmethylthio)-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC4=CC=CC=C4O3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC4=CC=CC=C4O3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H21N5O3S/c1-20(2,3)18-22-15-14(17(26)25(5)19(27)24(15)4)16(23-18)29-10-13-21-11-8-6-7-9-12(11)28-13/h6-9H,10H2,1-5H3