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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C20H17ClN4O4 MolecularWeight: 412.82638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=O)OC4=CC5=C(CCC5)C=C34

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=O)OC4=CC5=C(CCC5)C=C34

InChI

InChI=1S/C20H17ClN4O4/c1-23-17-16(18(27)24(2)20(23)28)25(19(21)22-17)9-12-8-15(26)29-14-7-11-5-3-4-10(11)6-13(12)14/h6-8H,3-5,9H2,1-2H3