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

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-(2-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(pyridin-2-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3,7-dimethyl-5-(2-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC=CC=N3)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C18H21N5O2S/c1-11(2)9-23-15-14(17(24)22(4)18(23)25)16(21-12(3)20-15)26-10-13-7-5-6-8-19-13/h5-8,11H,9-10H2,1-4H3