9-[(2Z)-2-ethoxyiminononan-3-yl]-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-[(2Z)-2-ethoxyiminononan-3-yl]-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-[(Z)-N-ethoxy-C-methyl-carbonimidoyl]heptyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-[(2Z)-2-ethoxyiminononan-3-yl]-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-[(2Z)-2-ethoxyiminononan-3-yl]-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-[(Z)-N-ethoxy-C-methyl-carbonimidoyl]heptyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C25H35N5O3 MolecularWeight: 453.5771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=NOCC)C)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCCCCC(/C(=N\OCC)/C)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

InChI

InChI=1S/C25H35N5O3/c1-5-8-9-10-14-20(18(4)29-33-7-3)30-17-26-22-24(30)27-23(28-25(22)31)19-13-11-12-15-21(19)32-16-6-2/h11-13,15,17,20H,5-10,14,16H2,1-4H3,(H,27,28,31)/b29-18-