1,3,7-trimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3,7-trimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-(3-methylbutylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCCC(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCCC(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H20N4O2S/c1-8(2)6-7-21-12-10-11(15-9(3)16-12)17(4)14(20)18(5)13(10)19/h8H,6-7H2,1-5H3