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

Systemtic Name: ethyl 2-[1-cyclopropyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]ethanoate Openeye Name: ethyl 2-(1-cyclopropyl-2,6-dioxo-3-phenyl-purin-7-yl)acetate CAS Name: 2-(1-cyclopropyl-2,6-dioxo-3-phenyl-7-purinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-cyclopropyl-2,6-dioxo-3-phenylpurin-7-yl)acetate Traditional Name: 2-(1-cyclopropyl-2,6-diketo-3-phenyl-purin-7-yl)acetic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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)C4CC4

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H18N4O4/c1-2-26-14(23)10-20-11-19-16-15(20)17(24)22(13-8-9-13)18(25)21(16)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3