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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(7-methyl-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(7-methyl-2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[(2-keto-7-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C18H15ClN4O4/c1-9-4-5-11-10(7-13(24)27-12(11)6-9)8-23-14-15(20-17(23)19)21(2)18(26)22(3)16(14)25/h4-7H,8H2,1-3H3