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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxidanylidenecycloheptyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxocycloheptyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[(2-oxocycloheptyl)thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxocycloheptyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(2-ketocycloheptyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SC3CCCCCC3=O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SC3CCCCCC3=O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H26N4O3S/c1-19(2,3)17-20-14-13(16(25)23(5)18(26)22(14)4)15(21-17)27-12-10-8-6-7-9-11(12)24/h12H,6-10H2,1-5H3