7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-fluorophenyl)-1,3-dimethyl-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-fluorophenyl)-1,3-dimethyl-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(4-fluorophenyl)-1,3-dimethyl-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H13FN4O2S MolecularWeight: 356.374123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC#C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)F)SCC#C)C(=O)N(C1=O)C

InChI

InChI=1S/C17H13FN4O2S/c1-4-9-25-15-12-14(21(2)17(24)22(3)16(12)23)19-13(20-15)10-5-7-11(18)8-6-10/h1,5-8H,9H2,2-3H3