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

Systemtic Name: 1,3-dimethyl-7-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(7-methyl-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(7-methyl-2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 7-[(2-keto-7-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H16N4O4/c1-10-4-5-12-11(7-14(23)26-13(12)6-10)8-22-9-19-16-15(22)17(24)21(3)18(25)20(16)2/h4-7,9H,8H2,1-3H3