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

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3,7-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-12(2)10-24-17-16(19(26)23(4)20(24)27)18(22-13(3)21-17)28-11-15(25)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3