8-chloranyl-7-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H14Cl2N4O4 MolecularWeight: 421.23416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)Cl

InChI

InChI=1S/C18H14Cl2N4O4/c1-8-4-12-10(6-11(8)19)9(5-13(25)28-12)7-24-14-15(21-17(24)20)22(2)18(27)23(3)16(14)26/h4-6H,7H2,1-3H3