7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 7-tert-butyl-2-[(E)-cinnamyl]-4-methyl-purino[8,7-b]oxazole-1,3-dione CAS Name: 7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b]oxazole-1,3-dione IUPAC Name: 7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 7-tert-butyl-2-[(E)-cinnamyl]-4-methyl-purino[8,7-b]oxazole-1,3-quinone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)15-13-25-16-17(22-19(25)28-15)23(4)20(27)24(18(16)26)12-8-11-14-9-6-5-7-10-14/h5-11,13H,12H2,1-4H3/b11-8+