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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SC/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H22N4O2S/c1-13(2)16-21-17-15(19(25)24(4)20(26)23(17)3)18(22-16)27-12-8-11-14-9-6-5-7-10-14/h5-11,13H,12H2,1-4H3/b11-8+