(8Z)-8-[[(3,4-dimethoxyphenyl)amino]methylidene]-1,3-dipropyl-purine-2,6-dione

Systemtic Name: (8Z)-8-[[(3,4-dimethoxyphenyl)amino]methylidene]-1,3-dipropyl-purine-2,6-dione Openeye Name: (8Z)-8-[(3,4-dimethoxyanilino)methylene]-1,3-dipropyl-purine-2,6-dione CAS Name: (8Z)-8-[(3,4-dimethoxyanilino)methylidene]-1,3-dipropylpurine-2,6-dione IUPAC Name: (8Z)-8-[(3,4-dimethoxyanilino)methylidene]-1,3-dipropylpurine-2,6-dione Traditional Name: (8Z)-8-[(3,4-dimethoxyanilino)methylene]-1,3-dipropyl-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=CNC3=CC(=C(C=C3)OC)OC)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C\NC3=CC(=C(C=C3)OC)OC)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C20H25N5O4/c1-5-9-24-18-17(19(26)25(10-6-2)20(24)27)22-16(23-18)12-21-13-7-8-14(28-3)15(11-13)29-4/h7-8,11-12,21H,5-6,9-10H2,1-4H3/b16-12-