ethyl 2-[2,6-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[2,6-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-(1-benzyl-2,6-dioxo-3-phenyl-purin-7-yl)acetate CAS Name: 2-[2,6-dioxo-3-phenyl-1-(phenylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-2,6-dioxo-3-phenylpurin-7-yl)acetate Traditional Name: 2-(1-benzyl-2,6-diketo-3-phenyl-purin-7-yl)acetic acid ethyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4/c1-2-30-18(27)14-24-15-23-20-19(24)21(28)25(13-16-9-5-3-6-10-16)22(29)26(20)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3