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

Systemtic Name: 3-butyl-8-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-keto-propyl]xanthine Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOC4=CC=CC=C43

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOC4=CC=CC=C43

InChI

InChI=1S/C25H33N5O4/c1-3-5-9-15-29-20(26-23-22(29)24(32)27-25(33)30(23)14-6-4-2)12-13-21(31)28-16-17-34-19-11-8-7-10-18(19)28/h7-8,10-11H,3-6,9,12-17H2,1-2H3,(H,27,32,33)