2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenyl-acetamide Formula: C18H18ClN5O3 MolecularWeight: 387.82022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC=C)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC=C)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5O3/c1-4-10-23(12-8-6-5-7-9-12)13(25)11-24-14-15(20-17(24)19)21(2)18(27)22(3)16(14)26/h4-9H,1,10-11H2,2-3H3