4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-6-(3,4-dimethoxyphenyl)-2-pteridinamine IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine Traditional Name: [4-[4-(4-chlorobenzyl)piperazino]-6-(3,4-dimethoxyphenyl)pteridin-2-yl]amine Formula: C25H26ClN7O2 MolecularWeight: 491.97264

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)CC5=CC=C(C=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CC5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C25H26ClN7O2/c1-34-20-8-5-17(13-21(20)35-2)19-14-28-23-22(29-19)24(31-25(27)30-23)33-11-9-32(10-12-33)15-16-3-6-18(26)7-4-16/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,30,31)