3-butyl-1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3-butyl-7-isopentyl-purine-2,6-dione CAS Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-butyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-butyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-3-butyl-7-isoamyl-xanthine Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C)N(C=N2)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C)N(C=N2)CCC(C)C

InChI

InChI=1S/C24H33N5O4/c1-7-8-10-28-22-21(27(13-25-22)11-9-14(2)3)23(32)29(24(28)33)12-18(31)20-15(4)19(17(6)30)16(5)26-20/h13-14,26H,7-12H2,1-6H3