3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 3-cyclopropyl-1-(5-ketohexyl)-7-p-anisyl-xanthine Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C4CC4

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C4CC4

InChI

InChI=1S/C22H26N4O4/c1-15(27)5-3-4-12-25-21(28)19-20(26(22(25)29)17-8-9-17)23-14-24(19)13-16-6-10-18(30-2)11-7-16/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3