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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=C(C=C4)C#N)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=C(C=C4)C#N)Cl)N5CCNCC5

InChI

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