7-butyl-8-[3-oxidanylidene-3-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[3-oxidanylidene-3-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-[3-keto-3-(3-keto-2,4-dihydroquinoxalin-1-yl)propyl]-3-propyl-xanthine Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C23H28N6O4/c1-3-5-13-27-17(25-21-20(27)22(32)26-23(33)28(21)12-4-2)10-11-19(31)29-14-18(30)24-15-8-6-7-9-16(15)29/h6-9H,3-5,10-14H2,1-2H3,(H,24,30)(H,26,32,33)