1,3-dimethyl-7-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(3-oxobenzo[f]chromen-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-oxobenzo[f]chromen-1-yl)methyl]purine-2,6-dione Traditional Name: 7-[(3-ketobenzo[f]chromen-1-yl)methyl]-1,3-dimethyl-xanthine Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C21H16N4O4/c1-23-19-18(20(27)24(2)21(23)28)25(11-22-19)10-13-9-16(26)29-15-8-7-12-5-3-4-6-14(12)17(13)15/h3-9,11H,10H2,1-2H3