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

Systemtic Name: 7-cyclopentyl-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-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-[[(E)-3-phenylprop-2-enyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(E)-cinnamyl]thio]-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC=CC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SC/C=C/C4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H24N4O2S/c1-25-19-17(21(27)26(2)22(25)28)20(24-18(23-19)16-12-6-7-13-16)29-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16H,6-7,12-14H2,1-2H3/b11-8+