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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SC3CCCCCC3=O)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SC3CCCCCC3=O)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C19H26N4O3S/c1-11(2)10-23-16-15(18(25)22(4)19(23)26)17(21-12(3)20-16)27-14-9-7-5-6-8-13(14)24/h11,14H,5-10H2,1-4H3