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

Systemtic Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H27N5O4S MolecularWeight: 469.55658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)N4CCCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)N4CCCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H27N5O4S/c1-4-32-16-10-8-15(9-11-16)19-24-20-18(22(30)27(3)23(31)26(20)2)21(25-19)33-14-17(29)28-12-6-5-7-13-28/h8-11H,4-7,12-14H2,1-3H3