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

Systemtic Name: 7-butyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-5-[(E)-cinnamyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-1,3-dimethyl-5-[[(E)-3-phenylprop-2-enyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-5-[[(E)-cinnamyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SC/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H24N4O2S/c1-4-5-13-16-22-18-17(20(26)25(3)21(27)24(18)2)19(23-16)28-14-9-12-15-10-7-6-8-11-15/h6-12H,4-5,13-14H2,1-3H3/b12-9+