[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-phenyl-methanone Formula: C25H25N7O3 MolecularWeight: 471.5111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H25N7O3/c1-34-19-9-8-17(14-20(19)35-2)18-15-27-22-21(28-18)23(30-25(26)29-22)31-10-12-32(13-11-31)24(33)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,29,30)