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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H21N5O2S/c1-18(2,3)16-20-13-12(15(24)23(5)17(25)22(13)4)14(21-16)26-10-11-7-6-8-19-9-11/h6-9H,10H2,1-5H3