3-butyl-1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-8-methylol-7-propyl-xanthine Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(N(C(=C3)C)CCC)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(N(C(=C3)C)CCC)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C24H35N5O4/c1-6-9-12-28-22-21(27(11-8-3)20(15-30)25-22)23(32)29(24(28)33)14-19(31)18-13-16(4)26(10-7-2)17(18)5/h13,30H,6-12,14-15H2,1-5H3