3,7-dimethyl-1-(2-methylpropyl)-5-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-[(1-oxo-1-phenylpropan-2-yl)thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(1-oxo-1-phenylpropan-2-yl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-5-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-3,7-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SC(C)C(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SC(C)C(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C21H24N4O3S/c1-12(2)11-25-18-16(20(27)24(5)21(25)28)19(23-14(4)22-18)29-13(3)17(26)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3