7-(4-bromophenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-bromophenyl)-1,3-dimethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-bromophenyl)-1,3-dimethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(4-bromophenyl)-5-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H22BrN5O3S MolecularWeight: 504.40008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H22BrN5O3S/c1-25-18-16(20(29)26(2)21(25)30)19(31-12-15(28)27-10-4-3-5-11-27)24-17(23-18)13-6-8-14(22)9-7-13/h6-9H,3-5,10-12H2,1-2H3