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

Systemtic Name: 7-(furan-2-yl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(2-furyl)-1,3-dimethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(2-furanyl)-1,3-dimethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(furan-2-yl)-1,3-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(2-furyl)-5-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21N5O4S MolecularWeight: 415.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H21N5O4S/c1-22-16-14(18(26)23(2)19(22)27)17(21-15(20-16)12-7-6-10-28-12)29-11-13(25)24-8-4-3-5-9-24/h6-7,10H,3-5,8-9,11H2,1-2H3