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

Systemtic Name: 7-butyl-8-[3-oxidanylidene-3-(4-oxidanylidenepiperidin-1-yl)propyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-[3-oxo-3-(4-oxo-1-piperidyl)propyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-[3-oxo-3-(4-oxo-1-piperidinyl)propyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-[3-keto-3-(4-ketopiperidino)propyl]-3-propyl-xanthine Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CCC(=O)CC3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)N3CCC(=O)CC3

InChI

InChI=1S/C20H29N5O4/c1-3-5-11-24-15(6-7-16(27)23-12-8-14(26)9-13-23)21-18-17(24)19(28)22-20(29)25(18)10-4-2/h3-13H2,1-2H3,(H,22,28,29)