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

Systemtic Name: 1,3-dimethyl-7-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 7-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]purine-2,6-dione Traditional Name: 7-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C21H22N4O4 MolecularWeight: 394.42378

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-11(2)14-8-15-13(7-17(26)29-16(15)6-12(14)3)9-25-10-22-19-18(25)20(27)24(5)21(28)23(19)4/h6-8,10-11H,9H2,1-5H3