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

Systemtic Name: 7-ethyl-1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(3-oxobenzo[f]chromen-1-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(3-oxobenzo[f]chromen-1-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(3-ketobenzo[f]chromen-1-yl)methyl]xanthine Formula: C28H22N4O4 MolecularWeight: 478.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C28H22N4O4/c1-2-30-17-29-26-25(30)27(34)32(28(35)31(26)15-18-8-4-3-5-9-18)16-20-14-23(33)36-22-13-12-19-10-6-7-11-21(19)24(20)22/h3-14,17H,2,15-16H2,1H3