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

Systemtic Name: 1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(E)-cinnamyl]sulfanyl-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[(E)-3-phenylprop-2-enyl]thio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(E)-cinnamyl]thio]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SC/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H22N4O2S/c1-4-9-15-21-17-16(19(25)24(3)20(26)23(17)2)18(22-15)27-13-8-12-14-10-6-5-7-11-14/h5-8,10-12H,4,9,13H2,1-3H3/b12-8+