3-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylpropyl-dimethyl-azanium Openeye Name: 3-(1,3-dimethyl-2,4-dioxo-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[(1,3-dimethyl-2,4-dioxo-7-phenyl-5-pyrimido[4,5-d]pyrimidinyl)thio]propyl-dimethylammonium IUPAC Name: 3-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropyl-dimethylazanium Traditional Name: 3-[(2,4-diketo-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]propyl-dimethyl-ammonium Formula: C19H24N5O2S+ MolecularWeight: 386.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCCC[NH+](C)C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCCC[NH+](C)C)C(=O)N(C1=O)C

InChI

InChI=1S/C19H23N5O2S/c1-22(2)11-8-12-27-17-14-16(23(3)19(26)24(4)18(14)25)20-15(21-17)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3/p+1