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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxidanylideneazepan-3-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxoazepan-3-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[(2-oxo-3-azepanyl)thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-(2-oxoazepan-3-yl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(2-ketoazepan-3-yl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SC3CCCCNC3=O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SC3CCCCNC3=O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H25N5O3S/c1-18(2,3)16-20-12-11(15(25)23(5)17(26)22(12)4)14(21-16)27-10-8-6-7-9-19-13(10)24/h10H,6-9H2,1-5H3,(H,19,24)