5-butan-2-ylsulfanyl-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-butan-2-ylsulfanyl-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-phenyl-5-sec-butylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butan-2-ylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butan-2-ylsulfanyl-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-phenyl-5-(sec-butylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-5-11(2)25-16-13-15(21(3)18(24)22(4)17(13)23)19-14(20-16)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3