3-[[(6-chloranyl-4-piperazin-1-yl-2-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(6-chloranyl-4-piperazin-1-yl-2-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-chloro-4-piperazin-1-yl-2-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzonitrile CAS Name: 3-[[[6-chloro-4-(1-piperazinyl)-2-(1-pyrrolidinyl)-7-pteridinyl]amino]methyl]benzonitrile IUPAC Name: 3-[[(6-chloro-4-piperazin-1-yl-2-pyrrolidin-1-ylpteridin-7-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(6-chloro-4-piperazino-2-pyrrolidino-pteridin-7-yl)amino]methyl]benzonitrile Formula: C22H24ClN9 MolecularWeight: 449.93926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(C(=N2)N4CCNCC4)N=C(C(=N3)NCC5=CC=CC(=C5)C#N)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=C(C(=N2)N4CCNCC4)N=C(C(=N3)NCC5=CC=CC(=C5)C#N)Cl

InChI

InChI=1S/C22H24ClN9/c23-18-20(26-14-16-5-3-4-15(12-16)13-24)28-19-17(27-18)21(31-10-6-25-7-11-31)30-22(29-19)32-8-1-2-9-32/h3-5,12,25H,1-2,6-11,14H2,(H,26,28,29,30)