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

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-phenoxyethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-(2-phenoxyethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-phenoxyethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-phenoxyethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3,7-dimethyl-5-(2-phenoxyethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCCOC3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCCOC3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C20H24N4O3S/c1-13(2)12-24-17-16(19(25)23(4)20(24)26)18(22-14(3)21-17)28-11-10-27-15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3