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

Systemtic Name: 7-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-chloro-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=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)Cl

InChI

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