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

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-8-methylol-7-propyl-xanthine Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C25H30N4O5/c1-5-7-9-28-23-22(27(8-6-2)20(14-30)26-23)24(32)29(25(28)33)13-17-12-21(31)34-19-11-16(4)15(3)10-18(17)19/h10-12,30H,5-9,13-14H2,1-4H3