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

Systemtic Name: 1,3,7-trimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(E)-cinnamyl]sulfanyl-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-[[(E)-3-phenylprop-2-enyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(E)-cinnamyl]thio]-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SC/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H18N4O2S/c1-12-19-15-14(17(23)22(3)18(24)21(15)2)16(20-12)25-11-7-10-13-8-5-4-6-9-13/h4-10H,11H2,1-3H3/b10-7+