7-cyclohexyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclohexyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(E)-cinnamyl]sulfanyl-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclohexyl-1,3-dimethyl-5-[[(E)-3-phenylprop-2-enyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclohexyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(E)-cinnamyl]thio]-7-cyclohexyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC=CC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3)SC/C=C/C4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C23H26N4O2S/c1-26-20-18(22(28)27(2)23(26)29)21(25-19(24-20)17-13-7-4-8-14-17)30-15-9-12-16-10-5-3-6-11-16/h3,5-6,9-12,17H,4,7-8,13-15H2,1-2H3/b12-9+